4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine

C12H20ClN5 — CID 104693064

IUPAC4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine
SMILESCCC1CCCCCN1c1nc(Cl)nc(NC)n1
InChIInChI=1S/C12H20ClN5/c1-3-9-7-5-4-6-8-18(9)12-16-10(13)15-11(14-2)17-12/h9H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyKNDPYYCOLSQEFH-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.73
Rot. Bonds3

About 4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine

4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 104693064) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine
PubChem CID104693064
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine
SMILESCCC1CCCCCN1c1nc(Cl)nc(NC)n1
InChIInChI=1S/C12H20ClN5/c1-3-9-7-5-4-6-8-18(9)12-16-10(13)15-11(14-2)17-12/h9H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyKNDPYYCOLSQEFH-UHFFFAOYSA-N
XLogP2.73
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80797655
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80797987
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80773407
4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80770964
[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640670
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol
CID 80766741
4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 104693151
N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 104693031
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80774727
2-[[4-(2-ethylpiperidin-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid
CID 89007167
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80826625

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine (CID 104693064) is 4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine is CCC1CCCCCN1c1nc(Cl)nc(NC)n1.
What is the InChIKey of 4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is KNDPYYCOLSQEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-3-9-7-5-4-6-8-18(9)12-16-10(13)15-11(14-2)17-12/h9H,3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 104693064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).