5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine

C15H24BrN3O — CID 116776738

IUPAC5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine
SMILESCCOC1(c2nc(N)c(Br)c(CC)n2)CCC(C)CC1
InChIInChI=1S/C15H24BrN3O/c1-4-11-12(16)13(17)19-14(18-11)15(20-5-2)8-6-10(3)7-9-15/h10H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyGBMJAYNFVNVEGQ-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.83
Rot. Bonds4

About 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine

5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine (PubChem CID 116776738) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine
PubChem CID116776738
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine
SMILESCCOC1(c2nc(N)c(Br)c(CC)n2)CCC(C)CC1
InChIInChI=1S/C15H24BrN3O/c1-4-11-12(16)13(17)19-14(18-11)15(20-5-2)8-6-10(3)7-9-15/h10H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyGBMJAYNFVNVEGQ-UHFFFAOYSA-N
XLogP3.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 116776795
5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine
CID 116746252
2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116776204
5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one
CID 136963951
4-(1-ethoxy-4-methylcyclohexyl)-6-propyl-1,3,5-triazin-2-amine
CID 116781918
5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116776851
2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine
CID 116775599
4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine
CID 116745994
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116745680
6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine
CID 116777204
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 116775589
2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136963971

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine (CID 116776738) is 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine is CCOC1(c2nc(N)c(Br)c(CC)n2)CCC(C)CC1.
What is the InChIKey of 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine?
The InChIKey is GBMJAYNFVNVEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-4-11-12(16)13(17)19-14(18-11)15(20-5-2)8-6-10(3)7-9-15/h10H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine?
5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine has a molecular weight of 342.28 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 116776738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).