4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine

C13H23N5 — CID 80850169

IUPAC4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC2CCCC2(C)C)nc(N)n1
InChIInChI=1S/C13H23N5/c1-4-15-10-8-11(18-12(14)17-10)16-9-6-5-7-13(9,2)3/h8-9H,4-7H2,1-3H3,(H4,14,15,16,17,18)
InChIKeyBOVQEWYGBJOEHC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.48
Rot. Bonds4

About 4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine

4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 80850169) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID80850169
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC2CCCC2(C)C)nc(N)n1
InChIInChI=1S/C13H23N5/c1-4-15-10-8-11(18-12(14)17-10)16-9-6-5-7-13(9,2)3/h8-9H,4-7H2,1-3H3,(H4,14,15,16,17,18)
InChIKeyBOVQEWYGBJOEHC-UHFFFAOYSA-N
XLogP2.48
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine (CID 80850169) is 4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(NC2CCCC2(C)C)nc(N)n1.
What is the InChIKey of 4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is BOVQEWYGBJOEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-15-10-8-11(18-12(14)17-10)16-9-6-5-7-13(9,2)3/h8-9H,4-7H2,1-3H3,(H4,14,15,16,17,18).
What are the key properties of 4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 249.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80850169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).