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

C18H21N3O4 — CID 42597810

IUPAC5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1cc(C2NC(=O)c3c(C)cc(C)nc3N2)cc(OC)c1OC
InChIInChI=1S/C18H21N3O4/c1-9-6-10(2)19-17-14(9)18(22)21-16(20-17)11-7-12(23-3)15(25-5)13(8-11)24-4/h6-8,16H,1-5H3,(H,19,20)(H,21,22)
InChIKeyFXOIOAGYDXLNIP-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.58
Rot. Bonds4

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

5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 42597810) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID42597810
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1cc(C2NC(=O)c3c(C)cc(C)nc3N2)cc(OC)c1OC
InChIInChI=1S/C18H21N3O4/c1-9-6-10(2)19-17-14(9)18(22)21-16(20-17)11-7-12(23-3)15(25-5)13(8-11)24-4/h6-8,16H,1-5H3,(H,19,20)(H,21,22)
InChIKeyFXOIOAGYDXLNIP-UHFFFAOYSA-N
XLogP2.58
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 42597810) is 5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is COc1cc(C2NC(=O)c3c(C)cc(C)nc3N2)cc(OC)c1OC.
What is the InChIKey of 5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is FXOIOAGYDXLNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-9-6-10(2)19-17-14(9)18(22)21-16(20-17)11-7-12(23-3)15(25-5)13(8-11)24-4/h6-8,16H,1-5H3,(H,19,20)(H,21,22).
What are the key properties of 5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 343.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 42597810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).