4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one

C12H14N4O — CID 137015587

IUPAC4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCc1ccccn1)c1cc(=O)[nH]cn1
InChIInChI=1S/C12H14N4O/c1-16(11-8-12(17)15-9-14-11)7-5-10-4-2-3-6-13-10/h2-4,6,8-9H,5,7H2,1H3,(H,14,15,17)
InChIKeyFRIRCJNAUCMXOF-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.84
Rot. Bonds4

About 4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one

4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 137015587) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
PubChem CID137015587
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCc1ccccn1)c1cc(=O)[nH]cn1
InChIInChI=1S/C12H14N4O/c1-16(11-8-12(17)15-9-14-11)7-5-10-4-2-3-6-13-10/h2-4,6,8-9H,5,7H2,1H3,(H,14,15,17)
InChIKeyFRIRCJNAUCMXOF-UHFFFAOYSA-N
XLogP0.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
CID 137009050
[2-[methyl(2-pyridin-2-ylethyl)amino]-4-pyridinyl]methanol
CID 61256233
4-[ethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136504671
4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one
CID 137008785
4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766323
4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80765765
[5-[methyl(2-pyridin-2-ylethyl)amino]pyrazin-2-yl]methanol
CID 107372677
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 63960883
[6-[methyl(2-pyridin-2-ylethyl)amino]pyridazin-3-yl]methanol
CID 61256234
3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 102822634
2-N-methyl-2-N-(2-pyridin-2-ylethyl)quinoline-2,6-diamine
CID 43450816
2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80956526

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one (CID 137015587) is 4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one is CN(CCc1ccccn1)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is FRIRCJNAUCMXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16(11-8-12(17)15-9-14-11)7-5-10-4-2-3-6-13-10/h2-4,6,8-9H,5,7H2,1H3,(H,14,15,17).
What are the key properties of 4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one?
4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 230.27 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137015587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).