8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

C15H17N5O — CID 59258925

IUPAC8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCNc1nc(C)c2cc(C#N)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C15H17N5O/c1-9-12-7-10(8-16)14(21)20(11-5-3-4-6-11)13(12)19-15(17-2)18-9/h7,11H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyKFRUCMAASKZLOG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.13
Rot. Bonds2

About 8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 59258925) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID59258925
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCNc1nc(C)c2cc(C#N)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C15H17N5O/c1-9-12-7-10(8-16)14(21)20(11-5-3-4-6-11)13(12)19-15(17-2)18-9/h7,11H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyKFRUCMAASKZLOG-UHFFFAOYSA-N
XLogP2.13
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 59258925) is 8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is CNc1nc(C)c2cc(C#N)c(=O)n(C3CCCC3)c2n1.
What is the InChIKey of 8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is KFRUCMAASKZLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-12-7-10(8-16)14(21)20(11-5-3-4-6-11)13(12)19-15(17-2)18-9/h7,11H,3-6H2,1-2H3,(H,17,18,19).
What are the key properties of 8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-4-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 59258925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).