4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine

C9H13ClN4 — CID 66520693

IUPAC4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2CCCCC2)n1
InChIInChI=1S/C9H13ClN4/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,11,12,13,14)
InChIKeyOLLFLQZPZHRLPT-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.15
Rot. Bonds1

About 4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine

4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine (PubChem CID 66520693) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine
PubChem CID66520693
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2CCCCC2)n1
InChIInChI=1S/C9H13ClN4/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,11,12,13,14)
InChIKeyOLLFLQZPZHRLPT-UHFFFAOYSA-N
XLogP2.15
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-cyclohexyl-N,N,N',N'-tetramethyl-
CID 3039315
6-Cyclohexyl-1,3,5-triazine-2,4-diamine
CID 91411
6-(4,4-Difluorocyclohexyl)-1,3,5-triazine-2,4-diamine
CID 112681579
4-Cyclohexyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867780
4-Cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964781
4-Chloro-6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine
CID 83240919
4-Chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine
CID 83241027
4-Chloro-6-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine
CID 83241343
6-[2-(Trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine
CID 104622072
6-[4-(Trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine
CID 112681426
6-[3-(Trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine
CID 112681530
4-Chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine
CID 113434047

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine (CID 66520693) is 4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(C2CCCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine?
The InChIKey is OLLFLQZPZHRLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,11,12,13,14).
What are the key properties of 4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine?
4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine has a molecular weight of 212.68 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclohexyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66520693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).