5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one

C19H27N5O — CID 70952939

IUPAC5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(N)c2cnc(NC3CCCC[C@H]3C)nc2n(C2CCC2)c1=O
InChIInChI=1S/C19H27N5O/c1-11-6-3-4-9-15(11)22-19-21-10-14-16(20)12(2)18(25)24(17(14)23-19)13-7-5-8-13/h10-11,13,15H,3-9,20H2,1-2H3,(H,21,22,23)/t11-,15?/m1/s1
InChIKeyIZEOMGISVSVTSZ-ZRKZCGFPSA-N
MW341.46 g/mol
LogP3.40
Rot. Bonds3

About 5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one

5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70952939) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID70952939
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(N)c2cnc(NC3CCCC[C@H]3C)nc2n(C2CCC2)c1=O
InChIInChI=1S/C19H27N5O/c1-11-6-3-4-9-15(11)22-19-21-10-14-16(20)12(2)18(25)24(17(14)23-19)13-7-5-8-13/h10-11,13,15H,3-9,20H2,1-2H3,(H,21,22,23)/t11-,15?/m1/s1
InChIKeyIZEOMGISVSVTSZ-ZRKZCGFPSA-N
XLogP3.40
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 70952939) is 5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one is Cc1c(N)c2cnc(NC3CCCC[C@H]3C)nc2n(C2CCC2)c1=O.
What is the InChIKey of 5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IZEOMGISVSVTSZ-ZRKZCGFPSA-N. The full InChI is InChI=1S/C19H27N5O/c1-11-6-3-4-9-15(11)22-19-21-10-14-16(20)12(2)18(25)24(17(14)23-19)13-7-5-8-13/h10-11,13,15H,3-9,20H2,1-2H3,(H,21,22,23)/t11-,15?/m1/s1.
What are the key properties of 5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one?
5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 341.46 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70952939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).