4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile

C17H14N4 — CID 138708647

IUPAC4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile
SMILESCC(C)c1nc(-c2ccc(C#N)cc2)c2cccnc2n1
InChIInChI=1S/C17H14N4/c1-11(2)16-20-15(13-7-5-12(10-18)6-8-13)14-4-3-9-19-17(14)21-16/h3-9,11H,1-2H3
InChIKeyHMNCZNQUWRQTMS-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.69
Rot. Bonds2

About 4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile

4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile (PubChem CID 138708647) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile
PubChem CID138708647
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile
SMILESCC(C)c1nc(-c2ccc(C#N)cc2)c2cccnc2n1
InChIInChI=1S/C17H14N4/c1-11(2)16-20-15(13-7-5-12(10-18)6-8-13)14-4-3-9-19-17(14)21-16/h3-9,11H,1-2H3
InChIKeyHMNCZNQUWRQTMS-UHFFFAOYSA-N
XLogP3.69
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile?
The IUPAC name of 4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile (CID 138708647) is 4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile.
What is the SMILES notation for 4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile?
The canonical SMILES for 4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile is CC(C)c1nc(-c2ccc(C#N)cc2)c2cccnc2n1.
What is the InChIKey of 4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile?
The InChIKey is HMNCZNQUWRQTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-11(2)16-20-15(13-7-5-12(10-18)6-8-13)14-4-3-9-19-17(14)21-16/h3-9,11H,1-2H3.
What are the key properties of 4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile?
4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile has a molecular weight of 274.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile is sourced from PubChem (CID 138708647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).