4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

C14H24N4 — CID 80791299

IUPAC4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCC2CCCC2)c1C
InChIInChI=1S/C14H24N4/c1-3-15-13-11(2)14(18-10-17-13)16-9-8-12-6-4-5-7-12/h10,12H,3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyNGBKIXVZCYVXAL-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.21
Rot. Bonds6

About 4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80791299) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80791299
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCC2CCCC2)c1C
InChIInChI=1S/C14H24N4/c1-3-15-13-11(2)14(18-10-17-13)16-9-8-12-6-4-5-7-12/h10,12H,3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyNGBKIXVZCYVXAL-UHFFFAOYSA-N
XLogP3.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80791882
6-(cyclohexylmethoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80880319
4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103748708
6-hydrazinyl-5-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 80913396
4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80790570
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 103466542
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80799644
4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80992927
4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80827161
6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80889416

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80791299) is 4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(NCCC2CCCC2)c1C.
What is the InChIKey of 4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is NGBKIXVZCYVXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-15-13-11(2)14(18-10-17-13)16-9-8-12-6-4-5-7-12/h10,12H,3-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80791299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).