4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine

C10H14BrN3O — CID 66340200

IUPAC4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1c1ncncc1Br
InChIInChI=1S/C10H14BrN3O/c1-10(2)6-15-4-3-14(10)9-8(11)5-12-7-13-9/h5,7H,3-4,6H2,1-2H3
InChIKeyGAKDLQYBTLERRQ-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.85
Rot. Bonds1

About 4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine

4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine (PubChem CID 66340200) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine
PubChem CID66340200
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1c1ncncc1Br
InChIInChI=1S/C10H14BrN3O/c1-10(2)6-15-4-3-14(10)9-8(11)5-12-7-13-9/h5,7H,3-4,6H2,1-2H3
InChIKeyGAKDLQYBTLERRQ-UHFFFAOYSA-N
XLogP1.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine
CID 105367772
4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine
CID 104778190
5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine
CID 61429931
4-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-2-amine
CID 80796377
6-(3,3-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-amine
CID 80796375
1-(5-bromopyrimidin-4-yl)-4-methylazepan-4-ol
CID 107407437
5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile
CID 61429731
4-[(3,3-dimethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974238
1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine
CID 114055939
1-(5-bromopyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol
CID 131014476
N-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62293326
N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
CID 83106045

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine?
The IUPAC name of 4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine (CID 66340200) is 4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine.
What is the SMILES notation for 4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine?
The canonical SMILES for 4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine is CC1(C)COCCN1c1ncncc1Br.
What is the InChIKey of 4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine?
The InChIKey is GAKDLQYBTLERRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-10(2)6-15-4-3-14(10)9-8(11)5-12-7-13-9/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine?
4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine has a molecular weight of 272.15 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrimidin-4-yl)-3,3-dimethylmorpholine is sourced from PubChem (CID 66340200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).