3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine

C9H11BrClN3O — CID 105370746

IUPAC3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine
SMILESClc1cncnc1N1CCOCC1CBr
InChIInChI=1S/C9H11BrClN3O/c10-3-7-5-15-2-1-14(7)9-8(11)4-12-6-13-9/h4,6-7H,1-3,5H2
InChIKeyPFVDYCQGDGXQKZ-UHFFFAOYSA-N
MW292.56 g/mol
LogP1.73
Rot. Bonds2

About 3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine

3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine (PubChem CID 105370746) has the molecular formula C9H11BrClN3O and a molecular weight of 292.56 g/mol. Its IUPAC name is 3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine
PubChem CID105370746
Molecular FormulaC9H11BrClN3O
Molecular Weight292.56 g/mol
Exact Mass290.98
IUPAC Name3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine
SMILESClc1cncnc1N1CCOCC1CBr
InChIInChI=1S/C9H11BrClN3O/c10-3-7-5-15-2-1-14(7)9-8(11)4-12-6-13-9/h4,6-7H,1-3,5H2
InChIKeyPFVDYCQGDGXQKZ-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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

N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
CID 83106045
N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
CID 83104336
N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104922
3-(bromomethyl)-4-(3-methylsulfonyl-2-pyridinyl)morpholine
CID 114600138
N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine
CID 105370506
N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 103584045
[1-(5-chloropyrimidin-4-yl)-4-methoxypiperidin-2-yl]methanamine
CID 105370102
1-(5-chloropyrimidin-4-yl)azepane;hydrochloride
CID 172880685
N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62283822
N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 83105942
N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine
CID 83106018
5-chloro-4-[3-(2-chloroethyl)pyrrolidin-1-yl]pyrimidine
CID 105370757

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine?
The IUPAC name of 3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine (CID 105370746) is 3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine.
What is the SMILES notation for 3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine?
The canonical SMILES for 3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine is Clc1cncnc1N1CCOCC1CBr.
What is the InChIKey of 3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine?
The InChIKey is PFVDYCQGDGXQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3O/c10-3-7-5-15-2-1-14(7)9-8(11)4-12-6-13-9/h4,6-7H,1-3,5H2.
What are the key properties of 3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine?
3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine has a molecular weight of 292.56 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine is sourced from PubChem (CID 105370746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).