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

C13H22N4 — CID 114542173

IUPAC4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC1CCC(C)(C)C1
InChIInChI=1S/C13H22N4/c1-4-10-11(14)15-8-16-12(10)17-9-5-6-13(2,3)7-9/h8-9H,4-7H2,1-3H3,(H3,14,15,16,17)
InChIKeyUCFJLDJQFKSLKI-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.61
Rot. Bonds3

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

4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine (PubChem CID 114542173) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
PubChem CID114542173
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC1CCC(C)(C)C1
InChIInChI=1S/C13H22N4/c1-4-10-11(14)15-8-16-12(10)17-9-5-6-13(2,3)7-9/h8-9H,4-7H2,1-3H3,(H3,14,15,16,17)
InChIKeyUCFJLDJQFKSLKI-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclobutyl-5-ethylpyrimidine-4,6-diamine
CID 80827503
5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine
CID 106812350
5-chloro-4-N-(3,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 106812467
5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
CID 80807733
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
4-N-(4,4-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80838058
N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 114542332
5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine
CID 80822032
N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine
CID 115880999
4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 80840241
4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198309
4-N-(4,4-dimethylcyclohexyl)-5-nitropyrimidine-4,6-diamine
CID 80837382

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine (CID 114542173) is 4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1NC1CCC(C)(C)C1.
What is the InChIKey of 4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine?
The InChIKey is UCFJLDJQFKSLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-10-11(14)15-8-16-12(10)17-9-5-6-13(2,3)7-9/h8-9H,4-7H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine?
4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 114542173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).