4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

C13H22N4 — CID 80781625

IUPAC4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCN(c1ncnc(NC)c1C)C1CCCC1
InChIInChI=1S/C13H22N4/c1-4-17(11-7-5-6-8-11)13-10(2)12(14-3)15-9-16-13/h9,11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyINJYYKZJYHRWDR-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.60
Rot. Bonds4

About 4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80781625) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80781625
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCN(c1ncnc(NC)c1C)C1CCCC1
InChIInChI=1S/C13H22N4/c1-4-17(11-7-5-6-8-11)13-10(2)12(14-3)15-9-16-13/h9,11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyINJYYKZJYHRWDR-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810290
4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80774359
4-N-cyclohexyl-4-N-ethyl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80767116
4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80808426
4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80761845
4-N-cyclopentyl-4-N,6-N-diethyl-5-nitropyrimidine-4,6-diamine
CID 80782217
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80844060
6-chloro-N-cyclohexyl-N-ethyl-5-propylpyrimidin-4-amine
CID 63736107
N-cyclopropyl-N-(cyclopropylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80917549
4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80799799
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503
N-cyclohexyl-N-ethyl-7H-purin-6-amine
CID 2155059

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80781625) is 4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is CCN(c1ncnc(NC)c1C)C1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is INJYYKZJYHRWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-17(11-7-5-6-8-11)13-10(2)12(14-3)15-9-16-13/h9,11H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80781625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).