4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine

C16H28N4 — CID 80955141

IUPAC4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NCCC2CCCC2)n1
InChIInChI=1S/C16H28N4/c1-3-7-14-19-15(17-4-2)12-16(20-14)18-11-10-13-8-5-6-9-13/h12-13H,3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyCQMOUUGBZTWEMY-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.85
Rot. Bonds8

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

4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80955141) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
PubChem CID80955141
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NCCC2CCCC2)n1
InChIInChI=1S/C16H28N4/c1-3-7-14-19-15(17-4-2)12-16(20-14)18-11-10-13-8-5-6-9-13/h12-13H,3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyCQMOUUGBZTWEMY-UHFFFAOYSA-N
XLogP3.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80791193
4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
CID 106014934
6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine
CID 80942828
4-N-(2-cyclohexylethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933213
4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 106015138
N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947878
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80954913
N-(2-cyclopentylethyl)-6-propylpyrimidin-4-amine
CID 61241874
N-ethyl-2-propyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80941270
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine (CID 80955141) is 4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(NCCC2CCCC2)n1.
What is the InChIKey of 4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is CQMOUUGBZTWEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-7-14-19-15(17-4-2)12-16(20-14)18-11-10-13-8-5-6-9-13/h12-13H,3-11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.85, 8 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-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).