4-(N-cyclopropylanilino)pyrimidine-5-carboxamide

C14H14N4O — CID 68759030

IUPAC4-(N-cyclopropylanilino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1N(c1ccccc1)C1CC1
InChIInChI=1S/C14H14N4O/c15-13(19)12-8-16-9-17-14(12)18(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H2,15,19)
InChIKeyLRKJYWIBXOQRMO-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.88
Rot. Bonds4

About 4-(N-cyclopropylanilino)pyrimidine-5-carboxamide

4-(N-cyclopropylanilino)pyrimidine-5-carboxamide (PubChem CID 68759030) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(N-cyclopropylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(N-cyclopropylanilino)pyrimidine-5-carboxamide
PubChem CID68759030
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-(N-cyclopropylanilino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1N(c1ccccc1)C1CC1
InChIInChI=1S/C14H14N4O/c15-13(19)12-8-16-9-17-14(12)18(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H2,15,19)
InChIKeyLRKJYWIBXOQRMO-UHFFFAOYSA-N
XLogP1.88
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidoanilino)-4-(N-cyclopropylanilino)pyrimidine-5-carboxamide
CID 68757072
4-phenylpyrimidine-5-carboxamide
CID 160993699
4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide
CID 133470712
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 114214176
4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide
CID 67509104
4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
CID 67508104
4-(2-methylanilino)pyrimidine-5-carboxamide
CID 175855018
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
[4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone
CID 166114877
4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 114213997
4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide
CID 112755316
2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide
CID 142959567

Frequently Asked Questions

What is the IUPAC name of 4-(N-cyclopropylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 4-(N-cyclopropylanilino)pyrimidine-5-carboxamide (CID 68759030) is 4-(N-cyclopropylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(N-cyclopropylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(N-cyclopropylanilino)pyrimidine-5-carboxamide is NC(=O)c1cncnc1N(c1ccccc1)C1CC1.
What is the InChIKey of 4-(N-cyclopropylanilino)pyrimidine-5-carboxamide?
The InChIKey is LRKJYWIBXOQRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-13(19)12-8-16-9-17-14(12)18(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H2,15,19).
What are the key properties of 4-(N-cyclopropylanilino)pyrimidine-5-carboxamide?
4-(N-cyclopropylanilino)pyrimidine-5-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-cyclopropylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 68759030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).