4-chloro-N-cyclohexylpyrimidin-2-amine

C10H14ClN3 — CID 87190061

IUPAC4-chloro-N-cyclohexylpyrimidin-2-amine
SMILESClc1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C10H14ClN3/c11-9-6-7-12-10(14-9)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13,14)
InChIKeyQLGVPWHXNLBQFU-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.87
Rot. Bonds2

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

4-chloro-N-cyclohexylpyrimidin-2-amine (PubChem CID 87190061) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 4-chloro-N-cyclohexylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclohexylpyrimidin-2-amine
PubChem CID87190061
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name4-chloro-N-cyclohexylpyrimidin-2-amine
SMILESClc1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C10H14ClN3/c11-9-6-7-12-10(14-9)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13,14)
InChIKeyQLGVPWHXNLBQFU-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-cyclohexylpyrimidin-2-amine (CID 87190061) is 4-chloro-N-cyclohexylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclohexylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-cyclohexylpyrimidin-2-amine is Clc1ccnc(NC2CCCCC2)n1.
What is the InChIKey of 4-chloro-N-cyclohexylpyrimidin-2-amine?
The InChIKey is QLGVPWHXNLBQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c11-9-6-7-12-10(14-9)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13,14).
What are the key properties of 4-chloro-N-cyclohexylpyrimidin-2-amine?
4-chloro-N-cyclohexylpyrimidin-2-amine has a molecular weight of 211.70 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexylpyrimidin-2-amine is sourced from PubChem (CID 87190061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).