4-amino-2,5-dimethyl-1H-pyrimidin-6-one

C6H9N3O — CID 135592941

IUPAC4-amino-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(C)c(=O)[nH]1
InChIInChI=1S/C6H9N3O/c1-3-5(7)8-4(2)9-6(3)10/h1-2H3,(H3,7,8,9,10)
InChIKeyFTWYAOBHRPLHQG-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.03
Rot. Bonds

About 4-amino-2,5-dimethyl-1H-pyrimidin-6-one

4-amino-2,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135592941) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 4-amino-2,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135592941
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name4-amino-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(C)c(=O)[nH]1
InChIInChI=1S/C6H9N3O/c1-3-5(7)8-4(2)9-6(3)10/h1-2H3,(H3,7,8,9,10)
InChIKeyFTWYAOBHRPLHQG-UHFFFAOYSA-N
XLogP-0.03
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-2,5-dimethylpyrimidin-4-ol
CID 135538365
2,5-Dimethylpyrimidin-4-ol
CID 242454
4-Pyrimidinol, 6-amino-5-ethyl-2-methyl-
CID 135854958
2,5-Dimethylpyrimidine-4,6-diol
CID 237015
4-Amino-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
CID 135998932
2,5,6-Trimethylpyrimidin-4-ol
CID 135591004
4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136076214
2-(fluoromethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 89666848
6-amino-5-fluoro-2-methyl-1H-pyrimidin-4-one
CID 135415817
4-fluoro-2-methyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136458161
6-Amino-2-ethylpyrimidin-4(1H)-one
CID 135900864
4-chloro-2-ethyl-5-methyl-1H-pyrimidin-3-ium-6-one chloride
CID 135057265

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2,5-dimethyl-1H-pyrimidin-6-one (CID 135592941) is 4-amino-2,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(N)c(C)c(=O)[nH]1.
What is the InChIKey of 4-amino-2,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is FTWYAOBHRPLHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-3-5(7)8-4(2)9-6(3)10/h1-2H3,(H3,7,8,9,10).
What are the key properties of 4-amino-2,5-dimethyl-1H-pyrimidin-6-one?
4-amino-2,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 139.16 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135592941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).