5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine

C12H18BrN3O2 — CID 80876725

IUPAC5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(OC2CCCC(OC)C2)n1
InChIInChI=1S/C12H18BrN3O2/c1-14-12-15-7-10(13)11(16-12)18-9-5-3-4-8(6-9)17-2/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyKVVIJZKCHVFWJP-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.62
Rot. Bonds4

About 5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine

5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine (PubChem CID 80876725) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine
PubChem CID80876725
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(OC2CCCC(OC)C2)n1
InChIInChI=1S/C12H18BrN3O2/c1-14-12-15-7-10(13)11(16-12)18-9-5-3-4-8(6-9)17-2/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyKVVIJZKCHVFWJP-UHFFFAOYSA-N
XLogP2.62
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine
CID 80872210
[5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80910470
N-ethyl-4-(3-methoxycyclohexyl)oxy-5-methylpyrimidin-2-amine
CID 80877178
3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine
CID 114837770
5-bromo-N-ethyl-4-(3-ethylcyclohexyl)oxypyrimidin-2-amine
CID 80876466
4-ethoxy-6-(3-methoxycyclohexyl)oxy-N-methyl-1,3,5-triazin-2-amine
CID 80876648
5-ethyl-6-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-4-amine
CID 80876040
5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 80817325
4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine
CID 114342911
5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine
CID 80876419
5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine
CID 80876001
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
CID 80771027

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine (CID 80876725) is 5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(OC2CCCC(OC)C2)n1.
What is the InChIKey of 5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine?
The InChIKey is KVVIJZKCHVFWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-14-12-15-7-10(13)11(16-12)18-9-5-3-4-8(6-9)17-2/h7-9H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine?
5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine has a molecular weight of 316.20 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80876725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).