5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine

C11H17BrN4O — CID 80764445

IUPAC5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(N2CC(C)OC(C)C2)n1
InChIInChI=1S/C11H17BrN4O/c1-7-5-16(6-8(2)17-7)10-9(12)4-14-11(13-3)15-10/h4,7-8H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyVURCOQVVTFIPNR-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.89
Rot. Bonds2

About 5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine

5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine (PubChem CID 80764445) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
PubChem CID80764445
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(N2CC(C)OC(C)C2)n1
InChIInChI=1S/C11H17BrN4O/c1-7-5-16(6-8(2)17-7)10-9(12)4-14-11(13-3)15-10/h4,7-8H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyVURCOQVVTFIPNR-UHFFFAOYSA-N
XLogP1.89
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine (CID 80764445) is 5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(N2CC(C)OC(C)C2)n1.
What is the InChIKey of 5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The InChIKey is VURCOQVVTFIPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-7-5-16(6-8(2)17-7)10-9(12)4-14-11(13-3)15-10/h4,7-8H,5-6H2,1-3H3,(H,13,14,15).
What are the key properties of 5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine has a molecular weight of 301.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80764445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).