N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide

C19H24N4O — CID 109298132

IUPACN-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCC(C)c1ccccc1Nc1nccc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C19H24N4O/c1-13(2)15-9-5-6-10-16(15)22-19-20-12-11-17(23-19)18(24)21-14-7-3-4-8-14/h5-6,9-14H,3-4,7-8H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyRGWVNLHZYXYBRK-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.02
Rot. Bonds5

About N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide

N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109298132) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109298132
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCC(C)c1ccccc1Nc1nccc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C19H24N4O/c1-13(2)15-9-5-6-10-16(15)22-19-20-12-11-17(23-19)18(24)21-14-7-3-4-8-14/h5-6,9-14H,3-4,7-8H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyRGWVNLHZYXYBRK-UHFFFAOYSA-N
XLogP4.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316027
N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109298869
(4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109299227
ethyl 2-[[4-(cycloheptylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109311613
4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899886
N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109295853
N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304746
2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide
CID 109295903
2-N-cyclohexyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109081583
methyl 4-[[2-(2-propan-2-ylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109316030
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109298132) is N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide is CC(C)c1ccccc1Nc1nccc(C(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is RGWVNLHZYXYBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13(2)15-9-5-6-10-16(15)22-19-20-12-11-17(23-19)18(24)21-14-7-3-4-8-14/h5-6,9-14H,3-4,7-8H2,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109298132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).