4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

C15H25ClN4O — CID 63548216

IUPAC4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(C)C2CCC(CC)CC2)n1
InChIInChI=1S/C15H25ClN4O/c1-4-10-21-15-18-13(16)17-14(19-15)20(3)12-8-6-11(5-2)7-9-12/h11-12H,4-10H2,1-3H3
InChIKeyHZPVZSGLCPOXBX-UHFFFAOYSA-N
MW312.85 g/mol
LogP3.72
Rot. Bonds6

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

4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 63548216) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID63548216
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(C)C2CCC(CC)CC2)n1
InChIInChI=1S/C15H25ClN4O/c1-4-10-21-15-18-13(16)17-14(19-15)20(3)12-8-6-11(5-2)7-9-12/h11-12H,4-10H2,1-3H3
InChIKeyHZPVZSGLCPOXBX-UHFFFAOYSA-N
XLogP3.72
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine
CID 62863220
6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80779089
2-N-(4-ethylcyclohexyl)-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80809819
4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,N-diethyl-1,3,5-triazin-2-amine
CID 102739995
4-chloro-N-cyclohexyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62857510
4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79315410
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79386092
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
CID 62868290
4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 107414801
4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 62863481
4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 64742173
2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
CID 79632393

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (CID 63548216) is 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(N(C)C2CCC(CC)CC2)n1.
What is the InChIKey of 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is HZPVZSGLCPOXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-4-10-21-15-18-13(16)17-14(19-15)20(3)12-8-6-11(5-2)7-9-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 312.85 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 63548216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).