5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine

C15H24BrN3O — CID 106997879

IUPAC5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine
SMILESCOc1nc(NC2CC(C)(C)CC(C)(C)C2)ncc1Br
InChIInChI=1S/C15H24BrN3O/c1-14(2)6-10(7-15(3,4)9-14)18-13-17-8-11(16)12(19-13)20-5/h8,10H,6-7,9H2,1-5H3,(H,17,18,19)
InChIKeyDROVAICZCTZDBL-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.26
Rot. Bonds3

About 5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine

5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine (PubChem CID 106997879) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine
PubChem CID106997879
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine
SMILESCOc1nc(NC2CC(C)(C)CC(C)(C)C2)ncc1Br
InChIInChI=1S/C15H24BrN3O/c1-14(2)6-10(7-15(3,4)9-14)18-13-17-8-11(16)12(19-13)20-5/h8,10H,6-7,9H2,1-5H3,(H,17,18,19)
InChIKeyDROVAICZCTZDBL-UHFFFAOYSA-N
XLogP4.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine (CID 106997879) is 5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine is COc1nc(NC2CC(C)(C)CC(C)(C)C2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine?
The InChIKey is DROVAICZCTZDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-14(2)6-10(7-15(3,4)9-14)18-13-17-8-11(16)12(19-13)20-5/h8,10H,6-7,9H2,1-5H3,(H,17,18,19).
What are the key properties of 5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine has a molecular weight of 342.28 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine is sourced from PubChem (CID 106997879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).