4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine

C16H20ClN5O — CID 686003

IUPAC4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(Nc2ccc(Cl)cc2)nc(NC2CCCC2)n1
InChIInChI=1S/C16H20ClN5O/c1-2-23-16-21-14(18-12-5-3-4-6-12)20-15(22-16)19-13-9-7-11(17)8-10-13/h7-10,12H,2-6H2,1H3,(H2,18,19,20,21,22)
InChIKeyAAIRFPOBTPKZFS-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.02
Rot. Bonds6

About 4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine

4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 686003) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID686003
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(Nc2ccc(Cl)cc2)nc(NC2CCCC2)n1
InChIInChI=1S/C16H20ClN5O/c1-2-23-16-21-14(18-12-5-3-4-6-12)20-15(22-16)19-13-9-7-11(17)8-10-13/h7-10,12H,2-6H2,1H3,(H2,18,19,20,21,22)
InChIKeyAAIRFPOBTPKZFS-UHFFFAOYSA-N
XLogP4.02
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 686003) is 4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(Nc2ccc(Cl)cc2)nc(NC2CCCC2)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is AAIRFPOBTPKZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-2-23-16-21-14(18-12-5-3-4-6-12)20-15(22-16)19-13-9-7-11(17)8-10-13/h7-10,12H,2-6H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine?
4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 333.82 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 686003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).