2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine

C10H13BrIN3O — CID 102937255

IUPAC2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine
SMILESCC1CN(c2ncncc2I)CC(CBr)O1
InChIInChI=1S/C10H13BrIN3O/c1-7-4-15(5-8(2-11)16-7)10-9(12)3-13-6-14-10/h3,6-8H,2,4-5H2,1H3
InChIKeyJNCJKLTUFAKTQO-UHFFFAOYSA-N
MW398.04 g/mol
LogP2.07
Rot. Bonds2

About 2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine

2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine (PubChem CID 102937255) has the molecular formula C10H13BrIN3O and a molecular weight of 398.04 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine
PubChem CID102937255
Molecular FormulaC10H13BrIN3O
Molecular Weight398.04 g/mol
Exact Mass396.93
IUPAC Name2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine
SMILESCC1CN(c2ncncc2I)CC(CBr)O1
InChIInChI=1S/C10H13BrIN3O/c1-7-4-15(5-8(2-11)16-7)10-9(12)3-13-6-14-10/h3,6-8H,2,4-5H2,1H3
InChIKeyJNCJKLTUFAKTQO-UHFFFAOYSA-N
XLogP2.07
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.04
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine
CID 102937224
2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine
CID 102937171
4-(5-bromo-3-chloro-2-pyridinyl)-2-(bromomethyl)-6-methylmorpholine
CID 103584210
2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine
CID 102937213
2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine
CID 107875654
2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine
CID 102937159
3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 102937175
4-[3-(2-bromoethyl)piperidin-1-yl]-5-iodopyrimidine
CID 80679066
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 102937271
4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 102745301
[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933974
2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 146088274

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine (CID 102937255) is 2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine is CC1CN(c2ncncc2I)CC(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine?
The InChIKey is JNCJKLTUFAKTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrIN3O/c1-7-4-15(5-8(2-11)16-7)10-9(12)3-13-6-14-10/h3,6-8H,2,4-5H2,1H3.
What are the key properties of 2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine?
2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine has a molecular weight of 398.04 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine is sourced from PubChem (CID 102937255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).