N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine

C16H18ClN3 — CID 66882983

IUPACN-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine
SMILESClc1cccc(C2(Nc3ncccn3)CCCCC2)c1
InChIInChI=1S/C16H18ClN3/c17-14-7-4-6-13(12-14)16(8-2-1-3-9-16)20-15-18-10-5-11-19-15/h4-7,10-12H,1-3,8-9H2,(H,18,19,20)
InChIKeyHDAKLFPGXFPMHU-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.40
Rot. Bonds3

About N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine

N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine (PubChem CID 66882983) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine
PubChem CID66882983
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC NameN-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine
SMILESClc1cccc(C2(Nc3ncccn3)CCCCC2)c1
InChIInChI=1S/C16H18ClN3/c17-14-7-4-6-13(12-14)16(8-2-1-3-9-16)20-15-18-10-5-11-19-15/h4-7,10-12H,1-3,8-9H2,(H,18,19,20)
InChIKeyHDAKLFPGXFPMHU-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine (CID 66882983) is N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine is Clc1cccc(C2(Nc3ncccn3)CCCCC2)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine?
The InChIKey is HDAKLFPGXFPMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-14-7-4-6-13(12-14)16(8-2-1-3-9-16)20-15-18-10-5-11-19-15/h4-7,10-12H,1-3,8-9H2,(H,18,19,20).
What are the key properties of N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine?
N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine has a molecular weight of 287.79 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 66882983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).