N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine

C17H20ClN3 — CID 82463214

IUPACN-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine
SMILESClc1cc(NCc2ccccc2)nc(C2CCCCC2)n1
InChIInChI=1S/C17H20ClN3/c18-15-11-16(19-12-13-7-3-1-4-8-13)21-17(20-15)14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,19,20,21)
InChIKeyOOMUPDOIWDIADY-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.79
Rot. Bonds4

About N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine

N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine (PubChem CID 82463214) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine
PubChem CID82463214
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC NameN-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine
SMILESClc1cc(NCc2ccccc2)nc(C2CCCCC2)n1
InChIInChI=1S/C17H20ClN3/c18-15-11-16(19-12-13-7-3-1-4-8-13)21-17(20-15)14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,19,20,21)
InChIKeyOOMUPDOIWDIADY-UHFFFAOYSA-N
XLogP4.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine (CID 82463214) is N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine is Clc1cc(NCc2ccccc2)nc(C2CCCCC2)n1.
What is the InChIKey of N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine?
The InChIKey is OOMUPDOIWDIADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c18-15-11-16(19-12-13-7-3-1-4-8-13)21-17(20-15)14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,19,20,21).
What are the key properties of N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine?
N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine has a molecular weight of 301.82 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine is sourced from PubChem (CID 82463214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).