2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine

C19H23BrN4O — CID 133298883

IUPAC2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
SMILESBrc1ccc(C2CN(c3cc(N4CCCCC4)ncn3)CCO2)cc1
InChIInChI=1S/C19H23BrN4O/c20-16-6-4-15(5-7-16)17-13-24(10-11-25-17)19-12-18(21-14-22-19)23-8-2-1-3-9-23/h4-7,12,14,17H,1-3,8-11,13H2
InChIKeyIIZKCLSMQMRRLQ-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.81
Rot. Bonds3

About 2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine

2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine (PubChem CID 133298883) has the molecular formula C19H23BrN4O and a molecular weight of 403.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
PubChem CID133298883
Molecular FormulaC19H23BrN4O
Molecular Weight403.32 g/mol
Exact Mass402.11
IUPAC Name2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
SMILESBrc1ccc(C2CN(c3cc(N4CCCCC4)ncn3)CCO2)cc1
InChIInChI=1S/C19H23BrN4O/c20-16-6-4-15(5-7-16)17-13-24(10-11-25-17)19-12-18(21-14-22-19)23-8-2-1-3-9-23/h4-7,12,14,17H,1-3,8-11,13H2
InChIKeyIIZKCLSMQMRRLQ-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 95551993
4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449865
4-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95584085
(2R)-2-(4-chlorophenyl)-4-(6-cyclopropylpyrimidin-4-yl)morpholine
CID 95551625
2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 126800921
2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 47983335
2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine
CID 47406272
(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine
CID 95559034
2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 133274491
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95551468
(2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95560815

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine (CID 133298883) is 2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine is Brc1ccc(C2CN(c3cc(N4CCCCC4)ncn3)CCO2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine?
The InChIKey is IIZKCLSMQMRRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O/c20-16-6-4-15(5-7-16)17-13-24(10-11-25-17)19-12-18(21-14-22-19)23-8-2-1-3-9-23/h4-7,12,14,17H,1-3,8-11,13H2.
What are the key properties of 2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine?
2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine has a molecular weight of 403.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 133298883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).