2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C14H14ClN3O — CID 141363643

IUPAC2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Nc2cccc(Cl)c2)nc2n1CCCC2
InChIInChI=1S/C14H14ClN3O/c15-10-4-3-5-11(8-10)16-12-9-14(19)18-7-2-1-6-13(18)17-12/h3-5,8-9,16H,1-2,6-7H2
InChIKeyMGKITWKFAIQZPH-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.98
Rot. Bonds2

About 2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 141363643) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID141363643
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Nc2cccc(Cl)c2)nc2n1CCCC2
InChIInChI=1S/C14H14ClN3O/c15-10-4-3-5-11(8-10)16-12-9-14(19)18-7-2-1-6-13(18)17-12/h3-5,8-9,16H,1-2,6-7H2
InChIKeyMGKITWKFAIQZPH-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-chloroanilino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
CID 58357449
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
1-(3-chlorophenyl)-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]urea
CID 16609027
2-amino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 134116243
4-N-(3-chlorophenyl)-6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112929721
[6-(3-chloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341728
2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 13382495
4-[[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878011
6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
CID 109364026
N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904502
2-(3-nitrophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450645
N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869918

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 141363643) is 2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is O=c1cc(Nc2cccc(Cl)c2)nc2n1CCCC2.
What is the InChIKey of 2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MGKITWKFAIQZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-10-4-3-5-11(8-10)16-12-9-14(19)18-7-2-1-6-13(18)17-12/h3-5,8-9,16H,1-2,6-7H2.
What are the key properties of 2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 275.74 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 141363643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).