5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine

C13H14BrClN4 — CID 115527549

IUPAC5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine
SMILESCc1nccc(-c2nc(Cl)c(Br)c(CC(C)C)n2)n1
InChIInChI=1S/C13H14BrClN4/c1-7(2)6-10-11(14)12(15)19-13(18-10)9-4-5-16-8(3)17-9/h4-5,7H,6H2,1-3H3
InChIKeyFQVHUCGDVSERBM-UHFFFAOYSA-N
MW341.64 g/mol
LogP3.86
Rot. Bonds3

About 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine

5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine (PubChem CID 115527549) has the molecular formula C13H14BrClN4 and a molecular weight of 341.64 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine
PubChem CID115527549
Molecular FormulaC13H14BrClN4
Molecular Weight341.64 g/mol
Exact Mass340.01
IUPAC Name5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine
SMILESCc1nccc(-c2nc(Cl)c(Br)c(CC(C)C)n2)n1
InChIInChI=1S/C13H14BrClN4/c1-7(2)6-10-11(14)12(15)19-13(18-10)9-4-5-16-8(3)17-9/h4-5,7H,6H2,1-3H3
InChIKeyFQVHUCGDVSERBM-UHFFFAOYSA-N
XLogP3.86
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine
CID 115527526
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine
CID 103347915
5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528560
5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine
CID 114554010
2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole
CID 107124723
5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine
CID 115528480
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 82809633
[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114362055
4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine
CID 115528625
1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine
CID 115531275
2-(3-bromothiophen-2-yl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 113298184
2-(2-methylpyrimidin-4-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113329092

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine (CID 115527549) is 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine is Cc1nccc(-c2nc(Cl)c(Br)c(CC(C)C)n2)n1.
What is the InChIKey of 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine?
The InChIKey is FQVHUCGDVSERBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4/c1-7(2)6-10-11(14)12(15)19-13(18-10)9-4-5-16-8(3)17-9/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine?
5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine has a molecular weight of 341.64 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine is sourced from PubChem (CID 115527549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).