2,4-diamino-5-methyl-1H-pyrimidin-6-one

C5H8N4O — CID 135413061

IUPAC2,4-diamino-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C5H8N4O/c1-2-3(6)8-5(7)9-4(2)10/h1H3,(H5,6,7,8,9,10)
InChIKeyJCNPMQHGAMNNPG-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.76
Rot. Bonds

About 2,4-diamino-5-methyl-1H-pyrimidin-6-one

2,4-diamino-5-methyl-1H-pyrimidin-6-one (PubChem CID 135413061) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 2,4-diamino-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-methyl-1H-pyrimidin-6-one
PubChem CID135413061
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name2,4-diamino-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C5H8N4O/c1-2-3(6)8-5(7)9-4(2)10/h1H3,(H5,6,7,8,9,10)
InChIKeyJCNPMQHGAMNNPG-UHFFFAOYSA-N
XLogP-0.76
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dimethylisocytosine
CID 135402388
2-Amino-6-hydroxy-5-methyl-1H-pyrimidin-4-one
CID 81111
2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine
CID 135845994
2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-1,1-dimethyl-guanidine
CID 135428300
N-Cyano-N'-methacryloylguanidine
CID 135429904
2,4-Diamino-5-(fluoromethyl)-6-oxopyrimidine-1-carbonitrile
CID 90812935
2,6-Diamino-5-ethylpyrimidin-4(3h)-one
CID 135449394
2,4-diamino-5-(methyliminomethyl)-1H-pyrimidin-6-one
CID 135516608
4-amino-2-chloro-5-methyl-1H-pyrimidin-6-one
CID 136321298
2-amino-4-fluoro-5-methyl-1H-pyrimidin-6-one
CID 136068745
2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine
CID 135478681
(4,5-Dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)cyanamide
CID 135629268

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-methyl-1H-pyrimidin-6-one (CID 135413061) is 2,4-diamino-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-methyl-1H-pyrimidin-6-one is Cc1c(N)nc(N)[nH]c1=O.
What is the InChIKey of 2,4-diamino-5-methyl-1H-pyrimidin-6-one?
The InChIKey is JCNPMQHGAMNNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-2-3(6)8-5(7)9-4(2)10/h1H3,(H5,6,7,8,9,10).
What are the key properties of 2,4-diamino-5-methyl-1H-pyrimidin-6-one?
2,4-diamino-5-methyl-1H-pyrimidin-6-one has a molecular weight of 140.15 g/mol, XLogP of -0.76, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135413061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).