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ScientificNameLabel
2(1H)-Pyrimidinone,4-amino-5-methyl-
PHCD compound ID : 1845
Chemical Names :
2(1H)-Pyrimidinone,4-amino-5-methyl-
Molecular Formula : C5H7N3O1
Molecular Weight : 125.058912
More Details :
Names & Synonyms: 6-amino-5-methyl-1H-pyrimidin-2-one , 6-azanyl-5-methyl-1H-pyrimidin-2-one
Smiles: Cc1cnc(=O)[nH]c1N
InChi : InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)
InChi Key : InChIKey=LRSASMSXMSNRBT-UHFFFAOYSA-N
PubChem ID : 65040
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.011980
Hydrogen bond donor count : 2 Electric dipole moment : 8.019
XLogP : -0.603 VDW volume : 116.551054
Molecular weight : 125.058912 HOMO-LUMO gap : 8.626000
Herb list :
Refrences & Litretures:
  
216.      Journal:'J. BioSci. Biotechnol'      Year:'2015'      Volume:'4'      Page:'117'      DOI:''      Title:'Identification of the essential oils composition from four ecotypes of Mentha longifolia (L.) Huds. growing wild in Isfahan province, Iran'
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