4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine

C14H15BrN2 — CID 105371570

IUPAC4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine
SMILESCC(C)Cc1cccc(-c2cncnc2Br)c1
InChIInChI=1S/C14H15BrN2/c1-10(2)6-11-4-3-5-12(7-11)13-8-16-9-17-14(13)15/h3-5,7-10H,6H2,1-2H3
InChIKeyGDQFSKYYIDHSGV-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.10
Rot. Bonds3

About 4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine

4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine (PubChem CID 105371570) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine
PubChem CID105371570
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine
SMILESCC(C)Cc1cccc(-c2cncnc2Br)c1
InChIInChI=1S/C14H15BrN2/c1-10(2)6-11-4-3-5-12(7-11)13-8-16-9-17-14(13)15/h3-5,7-10H,6H2,1-2H3
InChIKeyGDQFSKYYIDHSGV-UHFFFAOYSA-N
XLogP4.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-(3-methylphenyl)pyrimidine
CID 105370964
3-[3-(2-methylpropyl)phenyl]pyridine-4-carboxylic acid
CID 116545176
4-bromo-5-(3,4-dimethylphenyl)pyrimidine
CID 105371046
N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine
CID 116545401
7-(2-methylpropyl)quinazoline
CID 147255984
2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine
CID 71277362
3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole
CID 155136638
3-fluoro-4-[3-(2-methylpropyl)phenyl]aniline
CID 116545257
4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene
CID 146207453
4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 118651859
3,5-dichloro-6-[3-(2-methylpropyl)phenyl]pyridin-2-amine
CID 102753955
5-methyl-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidine-4-thione
CID 106522084

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine?
The IUPAC name of 4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine (CID 105371570) is 4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine.
What is the SMILES notation for 4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine?
The canonical SMILES for 4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine is CC(C)Cc1cccc(-c2cncnc2Br)c1.
What is the InChIKey of 4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine?
The InChIKey is GDQFSKYYIDHSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10(2)6-11-4-3-5-12(7-11)13-8-16-9-17-14(13)15/h3-5,7-10H,6H2,1-2H3.
What are the key properties of 4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine?
4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine has a molecular weight of 291.19 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine is sourced from PubChem (CID 105371570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).