(2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C14H13N3O2 — CID 95157848

IUPAC(2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc([C@@H]2NC(=O)c3cccnc3N2)cc1
InChIInChI=1S/C14H13N3O2/c1-19-10-6-4-9(5-7-10)12-16-13-11(14(18)17-12)3-2-8-15-13/h2-8,12H,1H3,(H,15,16)(H,17,18)/t12-/m0/s1
InChIKeyTUTPUOWVNJCRHT-LBPRGKRZSA-N
MW255.28 g/mol
LogP1.94
Rot. Bonds2

About (2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

(2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 95157848) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID95157848
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name(2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc([C@@H]2NC(=O)c3cccnc3N2)cc1
InChIInChI=1S/C14H13N3O2/c1-19-10-6-4-9(5-7-10)12-16-13-11(14(18)17-12)3-2-8-15-13/h2-8,12H,1H3,(H,15,16)(H,17,18)/t12-/m0/s1
InChIKeyTUTPUOWVNJCRHT-LBPRGKRZSA-N
XLogP1.94
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 95157871
(2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 97063326
6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one
CID 24829281
(2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
CID 7288086
(5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one
CID 906702
(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 95278518
(2R)-2-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 686642
2-(4-methoxyphenyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 10107074
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 1482114
(2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 35957655
8-(4-methoxyanilino)quinoline-5,6-dione
CID 12805925
2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 47089352

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 95157848) is (2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is COc1ccc([C@@H]2NC(=O)c3cccnc3N2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is TUTPUOWVNJCRHT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-10-6-4-9(5-7-10)12-16-13-11(14(18)17-12)3-2-8-15-13/h2-8,12H,1H3,(H,15,16)(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
(2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 255.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 95157848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).