5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine

C12H18BrN3O — CID 116776459

IUPAC5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
SMILESCOC1(c2nc(C)c(Br)c(N)n2)CCCCC1
InChIInChI=1S/C12H18BrN3O/c1-8-9(13)10(14)16-11(15-8)12(17-2)6-4-3-5-7-12/h3-7H2,1-2H3,(H2,14,15,16)
InChIKeyABZGLFDHJCSCPW-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.94
Rot. Bonds2

About 5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine

5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine (PubChem CID 116776459) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
PubChem CID116776459
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
SMILESCOC1(c2nc(C)c(Br)c(N)n2)CCCCC1
InChIInChI=1S/C12H18BrN3O/c1-8-9(13)10(14)16-11(15-8)12(17-2)6-4-3-5-7-12/h3-7H2,1-2H3,(H2,14,15,16)
InChIKeyABZGLFDHJCSCPW-UHFFFAOYSA-N
XLogP2.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine
CID 116729345
5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777283
5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116776525
5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine
CID 116746046
6-ethyl-2-(1-methoxycyclohexyl)-5-methylpyrimidin-4-amine
CID 116776328
2-(1-methoxycycloheptyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775684
2-(1-methoxycycloheptyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 116776251
4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
CID 116745969
3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine
CID 116744798
2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
CID 116776105
2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 113432871
5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611748

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine (CID 116776459) is 5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine is COC1(c2nc(C)c(Br)c(N)n2)CCCCC1.
What is the InChIKey of 5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine?
The InChIKey is ABZGLFDHJCSCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8-9(13)10(14)16-11(15-8)12(17-2)6-4-3-5-7-12/h3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine?
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine has a molecular weight of 300.20 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 116776459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).