6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide

C16H25N5O — CID 167761700

IUPAC6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(NC2CCN(C3CCCCC3)CC2)ncn1
InChIInChI=1S/C16H25N5O/c17-16(22)14-10-15(19-11-18-14)20-12-6-8-21(9-7-12)13-4-2-1-3-5-13/h10-13H,1-9H2,(H2,17,22)(H,18,19,20)
InChIKeyQEUHUCKQEXYJMU-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.78
Rot. Bonds4

About 6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide

6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide (PubChem CID 167761700) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
PubChem CID167761700
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(NC2CCN(C3CCCCC3)CC2)ncn1
InChIInChI=1S/C16H25N5O/c17-16(22)14-10-15(19-11-18-14)20-12-6-8-21(9-7-12)13-4-2-1-3-5-13/h10-13H,1-9H2,(H2,17,22)(H,18,19,20)
InChIKeyQEUHUCKQEXYJMU-UHFFFAOYSA-N
XLogP1.78
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-cyclopentylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 154797079
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 175892409
4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133492339
6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 122048859
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
[6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109353967
[6-(cyclopentylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109341271
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 130405890

Frequently Asked Questions

What is the IUPAC name of 6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide (CID 167761700) is 6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide is NC(=O)c1cc(NC2CCN(C3CCCCC3)CC2)ncn1.
What is the InChIKey of 6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is QEUHUCKQEXYJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c17-16(22)14-10-15(19-11-18-14)20-12-6-8-21(9-7-12)13-4-2-1-3-5-13/h10-13H,1-9H2,(H2,17,22)(H,18,19,20).
What are the key properties of 6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide?
6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 167761700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).