2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one

C17H17FN4O — CID 10267671

IUPAC2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCn1c(=O)ccc2cnc(Nc3ccc(F)c(C)c3)nc21
InChIInChI=1S/C17H17FN4O/c1-3-8-22-15(23)7-4-12-10-19-17(21-16(12)22)20-13-5-6-14(18)11(2)9-13/h4-7,9-10H,3,8H2,1-2H3,(H,19,20,21)
InChIKeySJQHIMIZSLRVJA-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.39
Rot. Bonds4

About 2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one

2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10267671) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10267671
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCn1c(=O)ccc2cnc(Nc3ccc(F)c(C)c3)nc21
InChIInChI=1S/C17H17FN4O/c1-3-8-22-15(23)7-4-12-10-19-17(21-16(12)22)20-13-5-6-14(18)11(2)9-13/h4-7,9-10H,3,8H2,1-2H3,(H,19,20,21)
InChIKeySJQHIMIZSLRVJA-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one (CID 10267671) is 2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one is CCCn1c(=O)ccc2cnc(Nc3ccc(F)c(C)c3)nc21.
What is the InChIKey of 2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SJQHIMIZSLRVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-3-8-22-15(23)7-4-12-10-19-17(21-16(12)22)20-13-5-6-14(18)11(2)9-13/h4-7,9-10H,3,8H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one?
2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 312.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10267671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).