2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol

C20H18BrN3O2 — CID 1110902

IUPAC2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H18BrN3O2/c21-15-7-5-14(6-8-15)17-13-18(16-3-1-2-4-19(16)25)23-20(22-17)24-9-11-26-12-10-24/h1-8,13,25H,9-12H2
InChIKeyAQUOCSDJKGQKAA-UHFFFAOYSA-N
MW412.29 g/mol
LogP4.12
Rot. Bonds3

About 2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol

2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol (PubChem CID 1110902) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is 2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol
PubChem CID1110902
Molecular FormulaC20H18BrN3O2
Molecular Weight412.29 g/mol
Exact Mass411.06
IUPAC Name2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H18BrN3O2/c21-15-7-5-14(6-8-15)17-13-18(16-3-1-2-4-19(16)25)23-20(22-17)24-9-11-26-12-10-24/h1-8,13,25H,9-12H2
InChIKeyAQUOCSDJKGQKAA-UHFFFAOYSA-N
XLogP4.12
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine
CID 69072137
4-[4-(2-methoxyphenyl)-6-phenylpyrimidin-2-yl]morpholine
CID 909883
2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile
CID 698584
2-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 135433965
N'-[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]morpholine-4-carboximidamide
CID 135468143
6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile
CID 39380254
4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 1338553
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
CID 135421745
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 2992799
4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine
CID 71481720

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol?
The IUPAC name of 2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol (CID 1110902) is 2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol?
The canonical SMILES for 2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol is Oc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol?
The InChIKey is AQUOCSDJKGQKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c21-15-7-5-14(6-8-15)17-13-18(16-3-1-2-4-19(16)25)23-20(22-17)24-9-11-26-12-10-24/h1-8,13,25H,9-12H2.
What are the key properties of 2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol?
2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol has a molecular weight of 412.29 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol is sourced from PubChem (CID 1110902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).