4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one

C12H14N4O — CID 135978217

IUPAC4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESCCNCc1cc(=O)[nH]c(-c2cccnc2)n1
InChIInChI=1S/C12H14N4O/c1-2-13-8-10-6-11(17)16-12(15-10)9-4-3-5-14-7-9/h3-7,13H,2,8H2,1H3,(H,15,16,17)
InChIKeyTZRSHULSZSYNTK-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.94
Rot. Bonds4

About 4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one

4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 135978217) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID135978217
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESCCNCc1cc(=O)[nH]c(-c2cccnc2)n1
InChIInChI=1S/C12H14N4O/c1-2-13-8-10-6-11(17)16-12(15-10)9-4-3-5-14-7-9/h3-7,13H,2,8H2,1H3,(H,15,16,17)
InChIKeyTZRSHULSZSYNTK-UHFFFAOYSA-N
XLogP0.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 135963145
cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 136891759
trans-(1S,2S)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 136891760
2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
CID 136682072
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide
CID 137127027
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 164663606
4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
CID 135978433
3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 136816395
2-(3-fluorophenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978440
2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide
CID 135963448
4-methoxy-N-[(1R)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]cyclohexane-1-carboxamide
CID 136676381

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one (CID 135978217) is 4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one is CCNCc1cc(=O)[nH]c(-c2cccnc2)n1.
What is the InChIKey of 4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is TZRSHULSZSYNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-13-8-10-6-11(17)16-12(15-10)9-4-3-5-14-7-9/h3-7,13H,2,8H2,1H3,(H,15,16,17).
What are the key properties of 4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one?
4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 230.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135978217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).