2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine

C10H13BrClN3O2 — CID 81210414

IUPAC2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine
SMILESCOc1ncc(Cl)c(N2CCOC(CBr)C2)n1
InChIInChI=1S/C10H13BrClN3O2/c1-16-10-13-5-8(12)9(14-10)15-2-3-17-7(4-11)6-15/h5,7H,2-4,6H2,1H3
InChIKeyZCNKAKPQYLIXCO-UHFFFAOYSA-N
MW322.59 g/mol
LogP1.74
Rot. Bonds3

About 2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine

2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine (PubChem CID 81210414) has the molecular formula C10H13BrClN3O2 and a molecular weight of 322.59 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine
PubChem CID81210414
Molecular FormulaC10H13BrClN3O2
Molecular Weight322.59 g/mol
Exact Mass320.99
IUPAC Name2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine
SMILESCOc1ncc(Cl)c(N2CCOC(CBr)C2)n1
InChIInChI=1S/C10H13BrClN3O2/c1-16-10-13-5-8(12)9(14-10)15-2-3-17-7(4-11)6-15/h5,7H,2-4,6H2,1H3
InChIKeyZCNKAKPQYLIXCO-UHFFFAOYSA-N
XLogP1.74
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(5-Bromo-4-chloropyrimidin-2-yl)morpholine
CID 4267751
4-(2-Chloro-5-fluoropyrimidin-4-yl)morpholine
CID 3121397
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 71863713
4-[5-Chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 71863714
(6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129485287
5-chloro-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methoxy-N-methylpyrimidin-4-amine
CID 132384150
4-(2-Chloro-5-fluoropyrimidin-4-yl)-2,2-dimethylmorpholine
CID 79080427
4-(2-Chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine
CID 79080444
4-(5-Chloropyrimidin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine
CID 171994559
4-(5-Bromopyrimidin-4-yl)morpholine
CID 4550008
(2R,6R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
CID 26368893
(2S,6R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
CID 26368894

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine?
The IUPAC name of 2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine (CID 81210414) is 2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine is COc1ncc(Cl)c(N2CCOC(CBr)C2)n1.
What is the InChIKey of 2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine?
The InChIKey is ZCNKAKPQYLIXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O2/c1-16-10-13-5-8(12)9(14-10)15-2-3-17-7(4-11)6-15/h5,7H,2-4,6H2,1H3.
What are the key properties of 2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine?
2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine has a molecular weight of 322.59 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine is sourced from PubChem (CID 81210414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).