2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one

C18H20N4O — CID 5330230

IUPAC2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)CCn1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C18H20N4O/c1-13(2)10-11-22-16(23)9-8-14-12-19-18(21-17(14)22)20-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,19,20,21)
InChIKeyLAZXKXIOSQUFFZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.58
Rot. Bonds5

About 2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one

2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330230) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330230
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)CCn1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C18H20N4O/c1-13(2)10-11-22-16(23)9-8-14-12-19-18(21-17(14)22)20-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,19,20,21)
InChIKeyLAZXKXIOSQUFFZ-UHFFFAOYSA-N
XLogP3.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one (CID 5330230) is 2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one is CC(C)CCn1c(=O)ccc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LAZXKXIOSQUFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(2)10-11-22-16(23)9-8-14-12-19-18(21-17(14)22)20-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 308.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-(3-methylbutyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).