5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine

C13H20BrN3O — CID 66300160

IUPAC5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCC(C)CC2)nc(N)c1Br
InChIInChI=1S/C13H20BrN3O/c1-8-3-5-9(6-4-8)13-16-10(7-18-2)11(14)12(15)17-13/h8-9H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyLPRUEJVOFBKQCR-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.26
Rot. Bonds3

About 5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine

5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 66300160) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine
PubChem CID66300160
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCC(C)CC2)nc(N)c1Br
InChIInChI=1S/C13H20BrN3O/c1-8-3-5-9(6-4-8)13-16-10(7-18-2)11(14)12(15)17-13/h8-9H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyLPRUEJVOFBKQCR-UHFFFAOYSA-N
XLogP3.26
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine (CID 66300160) is 5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine is COCc1nc(C2CCC(C)CC2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is LPRUEJVOFBKQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-8-3-5-9(6-4-8)13-16-10(7-18-2)11(14)12(15)17-13/h8-9H,3-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 314.23 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 66300160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).