2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine

C13H23N5 — CID 112746224

IUPAC2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Cc1nc(N)nc(NC2CCCC2C)n1
InChIInChI=1S/C13H23N5/c1-8(2)7-11-16-12(14)18-13(17-11)15-10-6-4-5-9(10)3/h8-10H,4-7H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyDCTUHCNYMUHEBA-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.25
Rot. Bonds4

About 2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine

2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112746224) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID112746224
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Cc1nc(N)nc(NC2CCCC2C)n1
InChIInChI=1S/C13H23N5/c1-8(2)7-11-16-12(14)18-13(17-11)15-10-6-4-5-9(10)3/h8-10H,4-7H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyDCTUHCNYMUHEBA-UHFFFAOYSA-N
XLogP2.25
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine (CID 112746224) is 2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine is CC(C)Cc1nc(N)nc(NC2CCCC2C)n1.
What is the InChIKey of 2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DCTUHCNYMUHEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-8(2)7-11-16-12(14)18-13(17-11)15-10-6-4-5-9(10)3/h8-10H,4-7H2,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).