4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine

C16H17BrN2 — CID 116545962

IUPAC4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine
SMILESCCCc1cccc(-c2cc(Br)nc(C3CC3)n2)c1
InChIInChI=1S/C16H17BrN2/c1-2-4-11-5-3-6-13(9-11)14-10-15(17)19-16(18-14)12-7-8-12/h3,5-6,9-10,12H,2,4,7-8H2,1H3
InChIKeyQTAPXKUCMPRKED-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.74
Rot. Bonds4

About 4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine

4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine (PubChem CID 116545962) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine.

Molecular Properties

Compound Name4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine
PubChem CID116545962
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine
SMILESCCCc1cccc(-c2cc(Br)nc(C3CC3)n2)c1
InChIInChI=1S/C16H17BrN2/c1-2-4-11-5-3-6-13(9-11)14-10-15(17)19-16(18-14)12-7-8-12/h3,5-6,9-10,12H,2,4,7-8H2,1H3
InChIKeyQTAPXKUCMPRKED-UHFFFAOYSA-N
XLogP4.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-cyclopropyl-6-(3-propylphenyl)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

4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine
CID 116545990
4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine
CID 114606618
4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine
CID 112554804
4-bromo-2-cyclopropyl-6-pyrimidin-5-ylpyrimidine
CID 112554806
4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine
CID 112554811
6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952474
N-methyl-6-(3-propylphenyl)pyridin-2-amine
CID 116546076
1-phenyl-3-propylbenzene
CID 4110465
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 55237242
2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
CID 116546086
6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952338
4-bromo-2-cyclopropyl-6-methylpyrimidine
CID 112554798

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine?
The IUPAC name of 4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine (CID 116545962) is 4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine.
What is the SMILES notation for 4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine?
The canonical SMILES for 4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine is CCCc1cccc(-c2cc(Br)nc(C3CC3)n2)c1.
What is the InChIKey of 4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine?
The InChIKey is QTAPXKUCMPRKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-2-4-11-5-3-6-13(9-11)14-10-15(17)19-16(18-14)12-7-8-12/h3,5-6,9-10,12H,2,4,7-8H2,1H3.
What are the key properties of 4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine?
4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine has a molecular weight of 317.23 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine is sourced from PubChem (CID 116545962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).