methyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate

C19H23N3O4 — CID 102595667

IUPACmethyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1O)CCC[C@H]2N(C)[C@@H](C)c1ccccc1
InChIInChI=1S/C19H23N3O4/c1-12(13-8-5-4-6-9-13)21(2)14-10-7-11-22-17(14)20-15(19(25)26-3)16(23)18(22)24/h4-6,8-9,12,14,23H,7,10-11H2,1-3H3/t12-,14+/m0/s1
InChIKeyFUAINYFVUXLZSY-GXTWGEPZSA-N
MW357.41 g/mol
LogP2.26
Rot. Bonds4

About methyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate

methyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 102595667) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID102595667
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Namemethyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1O)CCC[C@H]2N(C)[C@@H](C)c1ccccc1
InChIInChI=1S/C19H23N3O4/c1-12(13-8-5-4-6-9-13)21(2)14-10-7-11-22-17(14)20-15(19(25)26-3)16(23)18(22)24/h4-6,8-9,12,14,23H,7,10-11H2,1-3H3/t12-,14+/m0/s1
InChIKeyFUAINYFVUXLZSY-GXTWGEPZSA-N
XLogP2.26
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-pyrimidine-4-carboxamide
CID 54677477
N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677504
Tert-butyl 3-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)morpholine-4-carboxylate
CID 54677508
Tert-butyl 3-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-methylpiperazine-1-carboxylate
CID 54677553
9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682231
9-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682238
N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyl-oxamide
CID 54709859
Dihydroxypyrimidine carboxamide, 3
CID 135446231
2-(4-ethylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677506
2-(4-acetylmorpholin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677507
N-benzyl-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677515
5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
CID 54677516

Frequently Asked Questions

What is the IUPAC name of methyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (CID 102595667) is methyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2n(c(=O)c1O)CCC[C@H]2N(C)[C@@H](C)c1ccccc1.
What is the InChIKey of methyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is FUAINYFVUXLZSY-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12(13-8-5-4-6-9-13)21(2)14-10-7-11-22-17(14)20-15(19(25)26-3)16(23)18(22)24/h4-6,8-9,12,14,23H,7,10-11H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of methyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
methyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (9R)-3-hydroxy-9-[methyl-[(1S)-1-phenylethyl]amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 102595667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).