2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

C16H27N3O — CID 116775825

IUPAC2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCOC1(c2nc(C)c(CC)c(NC)n2)CCCCC1
InChIInChI=1S/C16H27N3O/c1-5-13-12(3)18-15(19-14(13)17-4)16(20-6-2)10-8-7-9-11-16/h5-11H2,1-4H3,(H,17,18,19)
InChIKeyWATISPIIGWXYPK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.59
Rot. Bonds5

About 2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (PubChem CID 116775825) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
PubChem CID116775825
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCOC1(c2nc(C)c(CC)c(NC)n2)CCCCC1
InChIInChI=1S/C16H27N3O/c1-5-13-12(3)18-15(19-14(13)17-4)16(20-6-2)10-8-7-9-11-16/h5-11H2,1-4H3,(H,17,18,19)
InChIKeyWATISPIIGWXYPK-UHFFFAOYSA-N
XLogP3.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 116775828
2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 116776412
4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
CID 116745802
2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116775726
2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116776442
2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
CID 116776105
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 116775589
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 104611900
2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776166
2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 116776844
4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
CID 116745682

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (CID 116775825) is 2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is CCOC1(c2nc(C)c(CC)c(NC)n2)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The InChIKey is WATISPIIGWXYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-13-12(3)18-15(19-14(13)17-4)16(20-6-2)10-8-7-9-11-16/h5-11H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 116775825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).