4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine

C11H17ClN4O — CID 55124107

IUPAC4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NC2CCCC2)n1
InChIInChI=1S/C11H17ClN4O/c1-2-7-17-11-15-9(12)14-10(16-11)13-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyMTCABWZGTVFXSM-UHFFFAOYSA-N
MW256.74 g/mol
LogP2.67
Rot. Bonds5

About 4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 55124107) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID55124107
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NC2CCCC2)n1
InChIInChI=1S/C11H17ClN4O/c1-2-7-17-11-15-9(12)14-10(16-11)13-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyMTCABWZGTVFXSM-UHFFFAOYSA-N
XLogP2.67
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-cyclopentyl-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-propoxy-1,3,5-triazin-2-amine
CID 64742173
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
2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771583
4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine
CID 114101541
4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62865328
4-chloro-N-(1,1-dioxothian-4-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 62857056
4-chloro-6-ethoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124366
2-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80822946
4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 107414801
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80827269

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine (CID 55124107) is 4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NC2CCCC2)n1.
What is the InChIKey of 4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is MTCABWZGTVFXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-2-7-17-11-15-9(12)14-10(16-11)13-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 256.74 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).