4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine

C16H19BrN2 — CID 116545990

IUPAC4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine
SMILESCCCc1cccc(-c2cc(Br)nc(C(C)C)n2)c1
InChIInChI=1S/C16H19BrN2/c1-4-6-12-7-5-8-13(9-12)14-10-15(17)19-16(18-14)11(2)3/h5,7-11H,4,6H2,1-3H3
InChIKeyBVOTXKRVLUBJMV-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.98
Rot. Bonds4

About 4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine

4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine (PubChem CID 116545990) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine.

Molecular Properties

Compound Name4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine
PubChem CID116545990
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine
SMILESCCCc1cccc(-c2cc(Br)nc(C(C)C)n2)c1
InChIInChI=1S/C16H19BrN2/c1-4-6-12-7-5-8-13(9-12)14-10-15(17)19-16(18-14)11(2)3/h5,7-11H,4,6H2,1-3H3
InChIKeyBVOTXKRVLUBJMV-UHFFFAOYSA-N
XLogP4.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-cyclopropyl-6-(3-propylphenyl)pyrimidine
CID 116545962
6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 115503957
4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine
CID 112554781
N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
CID 116546243
N-methyl-6-(3-propylphenyl)pyridin-2-amine
CID 116546076
1-phenyl-3-propylbenzene
CID 4110465
2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
CID 116546086
4-phenyl-2-(3-propylphenyl)pyridine
CID 144632078
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
2,6-diphenyl-4-propylpyridine
CID 164669086
4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine
CID 116545984
5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one
CID 136770243

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine?
The IUPAC name of 4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine (CID 116545990) is 4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine.
What is the SMILES notation for 4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine?
The canonical SMILES for 4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine is CCCc1cccc(-c2cc(Br)nc(C(C)C)n2)c1.
What is the InChIKey of 4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine?
The InChIKey is BVOTXKRVLUBJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-4-6-12-7-5-8-13(9-12)14-10-15(17)19-16(18-14)11(2)3/h5,7-11H,4,6H2,1-3H3.
What are the key properties of 4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine?
4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine has a molecular weight of 319.25 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine is sourced from PubChem (CID 116545990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).