4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine

C12H19ClN4O — CID 79871701

IUPAC4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NC2CCCCC2(C)C)n1
InChIInChI=1S/C12H19ClN4O/c1-12(2)7-5-4-6-8(12)14-10-15-9(13)16-11(17-10)18-3/h8H,4-7H2,1-3H3,(H,14,15,16,17)
InChIKeyCNSIPAULZZFIPV-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.91
Rot. Bonds3

About 4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine

4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 79871701) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID79871701
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NC2CCCCC2(C)C)n1
InChIInChI=1S/C12H19ClN4O/c1-12(2)7-5-4-6-8(12)14-10-15-9(13)16-11(17-10)18-3/h8H,4-7H2,1-3H3,(H,14,15,16,17)
InChIKeyCNSIPAULZZFIPV-UHFFFAOYSA-N
XLogP2.91
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine
CID 79873127
6-chloro-2-N-(2,2-dimethylcyclohexyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80849953
2-N-(2,2-dimethylcyclohexyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836617
4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 139072887
4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
CID 64743928
4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 83113996
2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562759
4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 106996266
4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114137248
N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859800
N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 15184090
N-(2,2-dimethylcyclohexyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362732

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine (CID 79871701) is 4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NC2CCCCC2(C)C)n1.
What is the InChIKey of 4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is CNSIPAULZZFIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-12(2)7-5-4-6-8(12)14-10-15-9(13)16-11(17-10)18-3/h8H,4-7H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 270.76 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 79871701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).