4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine

C12H19BrN4O — CID 102937271

IUPAC4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCC1CN(c2ccnc(N(C)C)n2)CC(CBr)O1
InChIInChI=1S/C12H19BrN4O/c1-9-7-17(8-10(6-13)18-9)11-4-5-14-12(15-11)16(2)3/h4-5,9-10H,6-8H2,1-3H3
InChIKeyCIPKLMIAGVGYGV-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.53
Rot. Bonds3

About 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine

4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 102937271) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID102937271
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCC1CN(c2ccnc(N(C)C)n2)CC(CBr)O1
InChIInChI=1S/C12H19BrN4O/c1-9-7-17(8-10(6-13)18-9)11-4-5-14-12(15-11)16(2)3/h4-5,9-10H,6-8H2,1-3H3
InChIKeyCIPKLMIAGVGYGV-UHFFFAOYSA-N
XLogP1.53
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine (CID 102937271) is 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine is CC1CN(c2ccnc(N(C)C)n2)CC(CBr)O1.
What is the InChIKey of 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is CIPKLMIAGVGYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-9-7-17(8-10(6-13)18-9)11-4-5-14-12(15-11)16(2)3/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine?
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 315.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 102937271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).