N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride

C16H27ClN4 — CID 118741706

IUPACN-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride
SMILESCc1nc(NC2CCCCC2)cc(C2CCCNC2)n1.Cl
InChIInChI=1S/C16H26N4.ClH/c1-12-18-15(13-6-5-9-17-11-13)10-16(19-12)20-14-7-3-2-4-8-14;/h10,13-14,17H,2-9,11H2,1H3,(H,18,19,20);1H
InChIKeyYZMHFJKXTKJWIB-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.42
Rot. Bonds3

About N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride

N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride (PubChem CID 118741706) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride
PubChem CID118741706
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC NameN-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride
SMILESCc1nc(NC2CCCCC2)cc(C2CCCNC2)n1.Cl
InChIInChI=1S/C16H26N4.ClH/c1-12-18-15(13-6-5-9-17-11-13)10-16(19-12)20-14-7-3-2-4-8-14;/h10,13-14,17H,2-9,11H2,1H3,(H,18,19,20);1H
InChIKeyYZMHFJKXTKJWIB-UHFFFAOYSA-N
XLogP3.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride?
The IUPAC name of N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride (CID 118741706) is N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride is Cc1nc(NC2CCCCC2)cc(C2CCCNC2)n1.Cl.
What is the InChIKey of N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride?
The InChIKey is YZMHFJKXTKJWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4.ClH/c1-12-18-15(13-6-5-9-17-11-13)10-16(19-12)20-14-7-3-2-4-8-14;/h10,13-14,17H,2-9,11H2,1H3,(H,18,19,20);1H.
What are the key properties of N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride?
N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 118741706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).