2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine

C16H18BrN3O — CID 47983335

IUPAC2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
SMILESCc1cc(C)nc(N2CCOC(c3ccc(Br)cc3)C2)n1
InChIInChI=1S/C16H18BrN3O/c1-11-9-12(2)19-16(18-11)20-7-8-21-15(10-20)13-3-5-14(17)6-4-13/h3-6,9,15H,7-8,10H2,1-2H3
InChIKeyCKLXPTCDDBBFML-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.43
Rot. Bonds2

About 2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine

2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine (PubChem CID 47983335) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
PubChem CID47983335
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
SMILESCc1cc(C)nc(N2CCOC(c3ccc(Br)cc3)C2)n1
InChIInChI=1S/C16H18BrN3O/c1-11-9-12(2)19-16(18-11)20-7-8-21-15(10-20)13-3-5-14(17)6-4-13/h3-6,9,15H,7-8,10H2,1-2H3
InChIKeyCKLXPTCDDBBFML-UHFFFAOYSA-N
XLogP3.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95584085
2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 133274491
2-(2,6-dimethylpyrimidin-4-yl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 110115953
2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274501
4-(4,6-dimethylpyrimidin-2-yl)-2-pyrazin-2-ylmorpholine
CID 110103191
2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine
CID 56880782
4-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137090573
2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine
CID 47406272
3-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylpyrazin-2-amine
CID 124958682
2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133298883
2-(4-bromophenyl)-4-propan-2-ylmorpholine
CID 82184636
(2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine
CID 97077681

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine?
The IUPAC name of 2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine (CID 47983335) is 2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine?
The canonical SMILES for 2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine is Cc1cc(C)nc(N2CCOC(c3ccc(Br)cc3)C2)n1.
What is the InChIKey of 2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine?
The InChIKey is CKLXPTCDDBBFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-11-9-12(2)19-16(18-11)20-7-8-21-15(10-20)13-3-5-14(17)6-4-13/h3-6,9,15H,7-8,10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine?
2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine has a molecular weight of 348.24 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 47983335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).