2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C16H17N3O3 — CID 42597571

IUPAC2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1cc(C2NC(=O)c3c(C)cc(C)nc3N2)ccc1O
InChIInChI=1S/C16H17N3O3/c1-8-6-9(2)17-15-13(8)16(21)19-14(18-15)10-4-5-11(20)12(7-10)22-3/h4-7,14,20H,1-3H3,(H,17,18)(H,19,21)
InChIKeyGHDZWJNYXGKDKT-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.27
Rot. Bonds2

About 2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 42597571) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID42597571
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1cc(C2NC(=O)c3c(C)cc(C)nc3N2)ccc1O
InChIInChI=1S/C16H17N3O3/c1-8-6-9(2)17-15-13(8)16(21)19-14(18-15)10-4-5-11(20)12(7-10)22-3/h4-7,14,20H,1-3H3,(H,17,18)(H,19,21)
InChIKeyGHDZWJNYXGKDKT-UHFFFAOYSA-N
XLogP2.27
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 42597571) is 2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is COc1cc(C2NC(=O)c3c(C)cc(C)nc3N2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is GHDZWJNYXGKDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-8-6-9(2)17-15-13(8)16(21)19-14(18-15)10-4-5-11(20)12(7-10)22-3/h4-7,14,20H,1-3H3,(H,17,18)(H,19,21).
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 299.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 42597571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).