1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide

C16H24ClN5O — CID 76806927

IUPAC1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide
SMILESNc1nc(Cl)cc(N2CCCC(C(=O)NC3CCCCC3)C2)n1
InChIInChI=1S/C16H24ClN5O/c17-13-9-14(21-16(18)20-13)22-8-4-5-11(10-22)15(23)19-12-6-2-1-3-7-12/h9,11-12H,1-8,10H2,(H,19,23)(H2,18,20,21)
InChIKeyQCUJGLNWZFJZFF-UHFFFAOYSA-N
MW337.86 g/mol
LogP2.38
Rot. Bonds3

About 1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide

1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide (PubChem CID 76806927) has the molecular formula C16H24ClN5O and a molecular weight of 337.86 g/mol. Its IUPAC name is 1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide
PubChem CID76806927
Molecular FormulaC16H24ClN5O
Molecular Weight337.86 g/mol
Exact Mass337.17
IUPAC Name1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide
SMILESNc1nc(Cl)cc(N2CCCC(C(=O)NC3CCCCC3)C2)n1
InChIInChI=1S/C16H24ClN5O/c17-13-9-14(21-16(18)20-13)22-8-4-5-11(10-22)15(23)19-12-6-2-1-3-7-12/h9,11-12H,1-8,10H2,(H,19,23)(H2,18,20,21)
InChIKeyQCUJGLNWZFJZFF-UHFFFAOYSA-N
XLogP2.38
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide (CID 76806927) is 1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide is Nc1nc(Cl)cc(N2CCCC(C(=O)NC3CCCCC3)C2)n1.
What is the InChIKey of 1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide?
The InChIKey is QCUJGLNWZFJZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN5O/c17-13-9-14(21-16(18)20-13)22-8-4-5-11(10-22)15(23)19-12-6-2-1-3-7-12/h9,11-12H,1-8,10H2,(H,19,23)(H2,18,20,21).
What are the key properties of 1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide?
1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide has a molecular weight of 337.86 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide is sourced from PubChem (CID 76806927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).