2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one

C19H20ClFN4O — CID 9119252

IUPAC2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(NC[C@H](c3c(F)cccc3Cl)N(C)C)cc(=O)n2c1
InChIInChI=1S/C19H20ClFN4O/c1-12-7-8-17-23-16(9-18(26)25(17)11-12)22-10-15(24(2)3)19-13(20)5-4-6-14(19)21/h4-9,11,15,22H,10H2,1-3H3/t15-/m1/s1
InChIKeyVJLFZUILCXMCSI-OAHLLOKOSA-N
MW374.85 g/mol
LogP3.51
Rot. Bonds5

About 2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 9119252) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID9119252
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC Name2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(NC[C@H](c3c(F)cccc3Cl)N(C)C)cc(=O)n2c1
InChIInChI=1S/C19H20ClFN4O/c1-12-7-8-17-23-16(9-18(26)25(17)11-12)22-10-15(24(2)3)19-13(20)5-4-6-14(19)21/h4-9,11,15,22H,10H2,1-3H3/t15-/m1/s1
InChIKeyVJLFZUILCXMCSI-OAHLLOKOSA-N
XLogP3.51
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 9119252) is 2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(NC[C@H](c3c(F)cccc3Cl)N(C)C)cc(=O)n2c1.
What is the InChIKey of 2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VJLFZUILCXMCSI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20ClFN4O/c1-12-7-8-17-23-16(9-18(26)25(17)11-12)22-10-15(24(2)3)19-13(20)5-4-6-14(19)21/h4-9,11,15,22H,10H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 374.85 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9119252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).