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

C14H23ClN4O — CID 64742173

IUPAC4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NC2CCCC(CC)C2)n1
InChIInChI=1S/C14H23ClN4O/c1-3-8-20-14-18-12(15)17-13(19-14)16-11-7-5-6-10(4-2)9-11/h10-11H,3-9H2,1-2H3,(H,16,17,18,19)
InChIKeyVSIKMQPACVWHMM-UHFFFAOYSA-N
MW298.82 g/mol
LogP3.69
Rot. Bonds6

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

4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 64742173) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID64742173
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NC2CCCC(CC)C2)n1
InChIInChI=1S/C14H23ClN4O/c1-3-8-20-14-18-12(15)17-13(19-14)16-11-7-5-6-10(4-2)9-11/h10-11H,3-9H2,1-2H3,(H,16,17,18,19)
InChIKeyVSIKMQPACVWHMM-UHFFFAOYSA-N
XLogP3.69
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
CID 64743928
4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
CID 55124107
4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine
CID 64744122
4-chloro-N-(1-methylpiperidin-3-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 62864239
4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 63924174
4-chloro-6-ethoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124366
4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine
CID 114101541
4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 107414801
4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine
CID 106207656
4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62865328
2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771583
4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 64732550

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine (CID 64742173) is 4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NC2CCCC(CC)C2)n1.
What is the InChIKey of 4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is VSIKMQPACVWHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-3-8-20-14-18-12(15)17-13(19-14)16-11-7-5-6-10(4-2)9-11/h10-11H,3-9H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 298.82 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 64742173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).