2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C18H18ClN3O — CID 8710339

IUPAC2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN[C@H](C)c3ccccc3Cl)cc(=O)n12
InChIInChI=1S/C18H18ClN3O/c1-12-6-5-9-17-21-14(10-18(23)22(12)17)11-20-13(2)15-7-3-4-8-16(15)19/h3-10,13,20H,11H2,1-2H3/t13-/m1/s1
InChIKeyMJQXFMJDXIRLMJ-CYBMUJFWSA-N
MW327.82 g/mol
LogP3.51
Rot. Bonds4

About 2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 8710339) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID8710339
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN[C@H](C)c3ccccc3Cl)cc(=O)n12
InChIInChI=1S/C18H18ClN3O/c1-12-6-5-9-17-21-14(10-18(23)22(12)17)11-20-13(2)15-7-3-4-8-16(15)19/h3-10,13,20H,11H2,1-2H3/t13-/m1/s1
InChIKeyMJQXFMJDXIRLMJ-CYBMUJFWSA-N
XLogP3.51
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92828475
2-[[[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 164633343
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17423411
[(1S)-1-(4-chlorophenyl)ethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8710605
(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 103936797
(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781310
6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
1-(2-chlorophenyl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 43767340
(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103916398
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55080193
1-(2-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 22483271

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 8710339) is 2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CN[C@H](C)c3ccccc3Cl)cc(=O)n12.
What is the InChIKey of 2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MJQXFMJDXIRLMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-12-6-5-9-17-21-14(10-18(23)22(12)17)11-20-13(2)15-7-3-4-8-16(15)19/h3-10,13,20H,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 327.82 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8710339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).