1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one

C11H12N4O — CID 80654108

IUPAC1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one
SMILESCc1cc(N)nc(Cn2ccc(=O)cc2)n1
InChIInChI=1S/C11H12N4O/c1-8-6-10(12)14-11(13-8)7-15-4-2-9(16)3-5-15/h2-6H,7H2,1H3,(H2,12,13,14)
InChIKeyPDOGMTCKDDCGJZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.58
Rot. Bonds2

About 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one

1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one (PubChem CID 80654108) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one
PubChem CID80654108
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one
SMILESCc1cc(N)nc(Cn2ccc(=O)cc2)n1
InChIInChI=1S/C11H12N4O/c1-8-6-10(12)14-11(13-8)7-15-4-2-9(16)3-5-15/h2-6H,7H2,1H3,(H2,12,13,14)
InChIKeyPDOGMTCKDDCGJZ-UHFFFAOYSA-N
XLogP0.58
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80770560
4-N-[2-(dimethylamino)ethyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80770937
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906823
4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112908089
2-N-butyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112908281
2-N-[2-(dimethylamino)ethyl]-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 137659080
Pyrimidine, 4-amino-2-diethylaminoethylamino-6-methyl-
CID 58798391
Pyrimidine, 2-amino-4-diethylaminoethylamino-6-methyl-
CID 23422078
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 45808709
N-(2,6-dimethylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62642157

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one?
The IUPAC name of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one (CID 80654108) is 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one is Cc1cc(N)nc(Cn2ccc(=O)cc2)n1.
What is the InChIKey of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one?
The InChIKey is PDOGMTCKDDCGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-6-10(12)14-11(13-8)7-15-4-2-9(16)3-5-15/h2-6H,7H2,1H3,(H2,12,13,14).
What are the key properties of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one?
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one has a molecular weight of 216.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one is sourced from PubChem (CID 80654108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).