4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine

C14H25N5 — CID 80791193

IUPAC4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCCC2CCCCC2)nc(N)n1
InChIInChI=1S/C14H25N5/c1-2-16-12-10-13(19-14(15)18-12)17-9-8-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H4,15,16,17,18,19)
InChIKeyRXKRLIJSZSUOCG-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.87
Rot. Bonds6

About 4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine

4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 80791193) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID80791193
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCCC2CCCCC2)nc(N)n1
InChIInChI=1S/C14H25N5/c1-2-16-12-10-13(19-14(15)18-12)17-9-8-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H4,15,16,17,18,19)
InChIKeyRXKRLIJSZSUOCG-UHFFFAOYSA-N
XLogP2.87
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80955141
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 114516943
4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565829
4-N-(2-cyclohexylethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933213
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80799499
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336
4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80790240
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine
CID 80870965
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80823298

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine (CID 80791193) is 4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(NCCC2CCCCC2)nc(N)n1.
What is the InChIKey of 4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is RXKRLIJSZSUOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-2-16-12-10-13(19-14(15)18-12)17-9-8-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H4,15,16,17,18,19).
What are the key properties of 4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 263.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80791193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).