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

C14H13N3O2 — CID 95157871

IUPAC(2S)-2-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccccc1[C@@H]1NC(=O)c2cccnc2N1
InChIInChI=1S/C14H13N3O2/c1-19-11-7-3-2-5-9(11)13-16-12-10(14(18)17-13)6-4-8-15-12/h2-8,13H,1H3,(H,15,16)(H,17,18)/t13-/m0/s1
InChIKeyWTAJECZAKXJGNV-ZDUSSCGKSA-N
MW255.28 g/mol
LogP1.94
Rot. Bonds2

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

(2S)-2-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 95157871) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is (2S)-2-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID95157871
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name(2S)-2-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccccc1[C@@H]1NC(=O)c2cccnc2N1
InChIInChI=1S/C14H13N3O2/c1-19-11-7-3-2-5-9(11)13-16-12-10(14(18)17-13)6-4-8-15-12/h2-8,13H,1H3,(H,15,16)(H,17,18)/t13-/m0/s1
InChIKeyWTAJECZAKXJGNV-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of (2S)-2-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 95157871) is (2S)-2-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (2S)-2-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for (2S)-2-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is COc1ccccc1[C@@H]1NC(=O)c2cccnc2N1.
What is the InChIKey of (2S)-2-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is WTAJECZAKXJGNV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-11-7-3-2-5-9(11)13-16-12-10(14(18)17-13)6-4-8-15-12/h2-8,13H,1H3,(H,15,16)(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
(2S)-2-(2-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-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 95157871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).