6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine

C18H31N3 — CID 65413827

IUPAC6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCCC(CC)C2)nc(CC)c1C
InChIInChI=1S/C18H31N3/c1-5-11-19-17-13(4)16(7-3)20-18(21-17)15-10-8-9-14(6-2)12-15/h14-15H,5-12H2,1-4H3,(H,19,20,21)
InChIKeyWKRIYFCTOATVPY-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.85
Rot. Bonds6

About 6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine

6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 65413827) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID65413827
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCCC(CC)C2)nc(CC)c1C
InChIInChI=1S/C18H31N3/c1-5-11-19-17-13(4)16(7-3)20-18(21-17)15-10-8-9-14(6-2)12-15/h14-15H,5-12H2,1-4H3,(H,19,20,21)
InChIKeyWKRIYFCTOATVPY-UHFFFAOYSA-N
XLogP4.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66307681
2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
CID 65413615
2-cyclobutyl-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299102
2-(3-ethylcyclohexyl)-N,5,6-trimethylpyrimidin-4-amine
CID 65413620
6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638386
2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 65406195
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
2-cyclopropyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80976122
2-(3-ethylcyclopentyl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 65405403
6-cyclobutyloxy-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine
CID 80991023
6-ethyl-5-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine
CID 79089266
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine (CID 65413827) is 6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C2CCCC(CC)C2)nc(CC)c1C.
What is the InChIKey of 6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is WKRIYFCTOATVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-11-19-17-13(4)16(7-3)20-18(21-17)15-10-8-9-14(6-2)12-15/h14-15H,5-12H2,1-4H3,(H,19,20,21).
What are the key properties of 6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine?
6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 65413827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).