4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine

C13H22N4 — CID 80840668

IUPAC4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCC(C)C2C)ncn1
InChIInChI=1S/C13H22N4/c1-4-14-12-7-13(16-8-15-12)17-11-6-5-9(2)10(11)3/h7-11H,4-6H2,1-3H3,(H2,14,15,16,17)
InChIKeyREVGYQSVHYRVBD-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.75
Rot. Bonds4

About 4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine

4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80840668) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80840668
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCC(C)C2C)ncn1
InChIInChI=1S/C13H22N4/c1-4-14-12-7-13(16-8-15-12)17-11-6-5-9(2)10(11)3/h7-11H,4-6H2,1-3H3,(H2,14,15,16,17)
InChIKeyREVGYQSVHYRVBD-UHFFFAOYSA-N
XLogP2.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine (CID 80840668) is 4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(NC2CCC(C)C2C)ncn1.
What is the InChIKey of 4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is REVGYQSVHYRVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-14-12-7-13(16-8-15-12)17-11-6-5-9(2)10(11)3/h7-11H,4-6H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine?
4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylcyclopentyl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80840668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).