5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine

C15H24BrN3O — CID 116776851

IUPAC5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCOC1(c2nc(N)c(Br)c(C(C)C)n2)CCCCC1
InChIInChI=1S/C15H24BrN3O/c1-4-20-15(8-6-5-7-9-15)14-18-12(10(2)3)11(16)13(17)19-14/h10H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyZFCQWXRLDQRNFL-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.14
Rot. Bonds4

About 5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 116776851) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID116776851
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCOC1(c2nc(N)c(Br)c(C(C)C)n2)CCCCC1
InChIInChI=1S/C15H24BrN3O/c1-4-20-15(8-6-5-7-9-15)14-18-12(10(2)3)11(16)13(17)19-14/h10H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyZFCQWXRLDQRNFL-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine
CID 114207193
4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 116781933
5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963992
2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine
CID 116776648
4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine
CID 116746016
5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine
CID 116776738
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321
6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine
CID 116777204
5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611748
ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate
CID 116782888
2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116776204
5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777283

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine (CID 116776851) is 5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine is CCOC1(c2nc(N)c(Br)c(C(C)C)n2)CCCCC1.
What is the InChIKey of 5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZFCQWXRLDQRNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-4-20-15(8-6-5-7-9-15)14-18-12(10(2)3)11(16)13(17)19-14/h10H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 342.28 g/mol, XLogP of 4.14, 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-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 116776851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).