4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine

C13H22N4 — CID 80840241

IUPAC4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC1CCC(C)C1C
InChIInChI=1S/C13H22N4/c1-4-10-12(14)15-7-16-13(10)17-11-6-5-8(2)9(11)3/h7-9,11H,4-6H2,1-3H3,(H3,14,15,16,17)
InChIKeyIWISXEBOXIIETH-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.47
Rot. Bonds3

About 4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine

4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine (PubChem CID 80840241) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
PubChem CID80840241
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC1CCC(C)C1C
InChIInChI=1S/C13H22N4/c1-4-10-12(14)15-7-16-13(10)17-11-6-5-8(2)9(11)3/h7-9,11H,4-6H2,1-3H3,(H3,14,15,16,17)
InChIKeyIWISXEBOXIIETH-UHFFFAOYSA-N
XLogP2.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.47
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)-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine (CID 80840241) is 4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1NC1CCC(C)C1C.
What is the InChIKey of 4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine?
The InChIKey is IWISXEBOXIIETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-10-12(14)15-7-16-13(10)17-11-6-5-8(2)9(11)3/h7-9,11H,4-6H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine?
4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.47, 3 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)-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80840241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).