1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol

C11H16BrN3O2 — CID 133476027

IUPAC1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol
SMILESCC(O)CC1COCCN1c1ncc(Br)cn1
InChIInChI=1S/C11H16BrN3O2/c1-8(16)4-10-7-17-3-2-15(10)11-13-5-9(12)6-14-11/h5-6,8,10,16H,2-4,7H2,1H3
InChIKeyWKKJZRRZHYLIOJ-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.22
Rot. Bonds3

About 1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol

1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol (PubChem CID 133476027) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol
PubChem CID133476027
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol
SMILESCC(O)CC1COCCN1c1ncc(Br)cn1
InChIInChI=1S/C11H16BrN3O2/c1-8(16)4-10-7-17-3-2-15(10)11-13-5-9(12)6-14-11/h5-6,8,10,16H,2-4,7H2,1H3
InChIKeyWKKJZRRZHYLIOJ-UHFFFAOYSA-N
XLogP1.22
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol 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

[4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine
CID 116976337
1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol
CID 133476628
4-(5-bromo-2-pyridinyl)-3-ethylmorpholine
CID 61375479
4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine
CID 106999878
1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol
CID 133476040
4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde
CID 174720095
N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 103584045
N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine
CID 106999679
1-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]propan-2-ol
CID 133476829
4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine
CID 61375480
N-[(4-quinazolin-2-ylmorpholin-3-yl)methyl]ethanamine
CID 114789779
(3R,4S)-3-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129483373

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol?
The IUPAC name of 1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol (CID 133476027) is 1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol?
The canonical SMILES for 1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol is CC(O)CC1COCCN1c1ncc(Br)cn1.
What is the InChIKey of 1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol?
The InChIKey is WKKJZRRZHYLIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-8(16)4-10-7-17-3-2-15(10)11-13-5-9(12)6-14-11/h5-6,8,10,16H,2-4,7H2,1H3.
What are the key properties of 1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol?
1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol has a molecular weight of 302.17 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol is sourced from PubChem (CID 133476027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).