4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine

C9H11BrClN3O — CID 59529076

IUPAC4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine
SMILESClc1cc(N2CCOCC2)nc(CBr)n1
InChIInChI=1S/C9H11BrClN3O/c10-6-8-12-7(11)5-9(13-8)14-1-3-15-4-2-14/h5H,1-4,6H2
InChIKeyNUYNYIFTEMWQHT-UHFFFAOYSA-N
MW292.56 g/mol
LogP1.86
Rot. Bonds2

About 4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine

4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine (PubChem CID 59529076) has the molecular formula C9H11BrClN3O and a molecular weight of 292.56 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine
PubChem CID59529076
Molecular FormulaC9H11BrClN3O
Molecular Weight292.56 g/mol
Exact Mass290.98
IUPAC Name4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine
SMILESClc1cc(N2CCOCC2)nc(CBr)n1
InChIInChI=1S/C9H11BrClN3O/c10-6-8-12-7(11)5-9(13-8)14-1-3-15-4-2-14/h5H,1-4,6H2
InChIKeyNUYNYIFTEMWQHT-UHFFFAOYSA-N
XLogP1.86
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol
CID 90456839
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine
CID 87544751
4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80943255
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813
[1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 170307917
8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane
CID 90226435
4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine
CID 170120523
2-chloro-6-(1,4-oxazepan-4-yl)pyridine-4-carboxylic acid
CID 55139980
4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
CID 159726941
1-(4-acetylpiperazin-1-yl)-2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylethanone
CID 42753909
4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine
CID 175051525
2-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)ethanamine
CID 83852725

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine (CID 59529076) is 4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine is Clc1cc(N2CCOCC2)nc(CBr)n1.
What is the InChIKey of 4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine?
The InChIKey is NUYNYIFTEMWQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3O/c10-6-8-12-7(11)5-9(13-8)14-1-3-15-4-2-14/h5H,1-4,6H2.
What are the key properties of 4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine?
4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine has a molecular weight of 292.56 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine is sourced from PubChem (CID 59529076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).