5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

C18H23BrN2O2 — CID 10452296

IUPAC5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncc(-c2cccc(Br)c2)c(OC(C)(C)C)n1
InChIInChI=1S/C18H23BrN2O2/c1-17(2,3)22-15-14(12-8-7-9-13(19)10-12)11-20-16(21-15)23-18(4,5)6/h7-11H,1-6H3
InChIKeyVHHYHNRGMVFMSQ-UHFFFAOYSA-N
MW379.30 g/mol
LogP5.26
Rot. Bonds3

About 5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine (PubChem CID 10452296) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.

Molecular Properties

Compound Name5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
PubChem CID10452296
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncc(-c2cccc(Br)c2)c(OC(C)(C)C)n1
InChIInChI=1S/C18H23BrN2O2/c1-17(2,3)22-15-14(12-8-7-9-13(19)10-12)11-20-16(21-15)23-18(4,5)6/h7-11H,1-6H3
InChIKeyVHHYHNRGMVFMSQ-UHFFFAOYSA-N
XLogP5.26
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.30
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]phenyl]-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
CID 10602107
3-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]aniline
CID 817987
5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
CID 1024080
2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine
CID 76538776
1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol
CID 174690755
6-[(3-bromophenyl)methoxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 82804375
6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 43262127
2-(3-bromophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]phenyl]imidazole
CID 58947187
4-(3-bromophenyl)-5-fluoropyrimidin-2-amine
CID 115504031
5-(3-bromophenyl)-2-tert-butyl-1H-imidazole
CID 59836686
2-[4-bromo-2-(3-bromophenyl)phenyl]propan-2-ol
CID 144565249
3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine
CID 115504055

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The IUPAC name of 5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine (CID 10452296) is 5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.
What is the SMILES notation for 5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The canonical SMILES for 5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine is CC(C)(C)Oc1ncc(-c2cccc(Br)c2)c(OC(C)(C)C)n1.
What is the InChIKey of 5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The InChIKey is VHHYHNRGMVFMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-17(2,3)22-15-14(12-8-7-9-13(19)10-12)11-20-16(21-15)23-18(4,5)6/h7-11H,1-6H3.
What are the key properties of 5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine has a molecular weight of 379.30 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine is sourced from PubChem (CID 10452296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).