4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine

C13H23N5 — CID 80855037

IUPAC4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCC(C)CN(c1cc(N)nc(N)n1)C1CCCC1
InChIInChI=1S/C13H23N5/c1-9(2)8-18(10-5-3-4-6-10)12-7-11(14)16-13(15)17-12/h7,9-10H,3-6,8H2,1-2H3,(H4,14,15,16,17)
InChIKeyKPHNZVYILSTSDL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.05
Rot. Bonds4

About 4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine

4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine (PubChem CID 80855037) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
PubChem CID80855037
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCC(C)CN(c1cc(N)nc(N)n1)C1CCCC1
InChIInChI=1S/C13H23N5/c1-9(2)8-18(10-5-3-4-6-10)12-7-11(14)16-13(15)17-12/h7,9-10H,3-6,8H2,1-2H3,(H4,14,15,16,17)
InChIKeyKPHNZVYILSTSDL-UHFFFAOYSA-N
XLogP2.05
TPSA81.06 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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine (CID 80855037) is 4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine is CC(C)CN(c1cc(N)nc(N)n1)C1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The InChIKey is KPHNZVYILSTSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-9(2)8-18(10-5-3-4-6-10)12-7-11(14)16-13(15)17-12/h7,9-10H,3-6,8H2,1-2H3,(H4,14,15,16,17).
What are the key properties of 4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine has a molecular weight of 249.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80855037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).