2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

C13H13N5O — CID 59258950

IUPAC2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCc1nc(N)nc2c1cc(C#N)c(=O)n2C1CCC1
InChIInChI=1S/C13H13N5O/c1-7-10-5-8(6-14)12(19)18(9-3-2-4-9)11(10)17-13(15)16-7/h5,9H,2-4H2,1H3,(H2,15,16,17)
InChIKeySLFNRGRYKYNGSI-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.28
Rot. Bonds1

About 2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 59258950) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID59258950
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCc1nc(N)nc2c1cc(C#N)c(=O)n2C1CCC1
InChIInChI=1S/C13H13N5O/c1-7-10-5-8(6-14)12(19)18(9-3-2-4-9)11(10)17-13(15)16-7/h5,9H,2-4H2,1H3,(H2,15,16,17)
InChIKeySLFNRGRYKYNGSI-UHFFFAOYSA-N
XLogP1.28
TPSA97.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 886207
2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 59258868
2-Amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258869
3-[8-Cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide
CID 59258902
2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795380
8-Ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 123436499
Pyrido[2,3-d]pyrimidin-7(8H)-one, 4,8-dimethyl-2-methylamino-
CID 609306
2,4-Diamino-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one
CID 12428191
2,4,6-trimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795384
2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 162600258
4,6-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795383
6-Bromo-8-cyclopropyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16122942

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 59258950) is 2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is Cc1nc(N)nc2c1cc(C#N)c(=O)n2C1CCC1.
What is the InChIKey of 2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is SLFNRGRYKYNGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-7-10-5-8(6-14)12(19)18(9-3-2-4-9)11(10)17-13(15)16-7/h5,9H,2-4H2,1H3,(H2,15,16,17).
What are the key properties of 2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-cyclobutyl-4-methyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 59258950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).