6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

C17H16Cl2N4O — CID 5327870

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C17H16Cl2N4O/c1-9(2)21-17-20-8-10-7-11(16(24)23(3)15(10)22-17)14-12(18)5-4-6-13(14)19/h4-9H,1-3H3,(H,20,21,22)
InChIKeyGWRZAKQWUQRPDF-UHFFFAOYSA-N
MW363.25 g/mol
LogP4.12
Rot. Bonds3

About 6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327870) has the molecular formula C17H16Cl2N4O and a molecular weight of 363.25 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5327870
Molecular FormulaC17H16Cl2N4O
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C17H16Cl2N4O/c1-9(2)21-17-20-8-10-7-11(16(24)23(3)15(10)22-17)14-12(18)5-4-6-13(14)19/h4-9H,1-3H3,(H,20,21,22)
InChIKeyGWRZAKQWUQRPDF-UHFFFAOYSA-N
XLogP4.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 5327870) is 6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is CC(C)Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GWRZAKQWUQRPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O/c1-9(2)21-17-20-8-10-7-11(16(24)23(3)15(10)22-17)14-12(18)5-4-6-13(14)19/h4-9H,1-3H3,(H,20,21,22).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 363.25 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).