5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine

C15H14BrClN2O — CID 79980390

IUPAC5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(-c2ccc(C3CC3)cc2)nc(Cl)c1Br
InChIInChI=1S/C15H14BrClN2O/c1-20-8-12-13(16)14(17)19-15(18-12)11-6-4-10(5-7-11)9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKeyBFFOQOZDKUWLJI-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.58
Rot. Bonds4

About 5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine

5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine (PubChem CID 79980390) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine
PubChem CID79980390
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(-c2ccc(C3CC3)cc2)nc(Cl)c1Br
InChIInChI=1S/C15H14BrClN2O/c1-20-8-12-13(16)14(17)19-15(18-12)11-6-4-10(5-7-11)9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKeyBFFOQOZDKUWLJI-UHFFFAOYSA-N
XLogP4.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-6-(methoxymethyl)-2-(4-propan-2-ylphenyl)pyrimidine
CID 66292223
5-bromo-4-chloro-6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)pyrimidine
CID 66293644
5-bromo-4-chloro-2-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine
CID 66312461
5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine
CID 66294471
5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 79980128
5-bromo-6-(methoxymethyl)-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 66298593
5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine
CID 66312435
4-[5-bromo-4-chloro-6-(methoxymethyl)pyrimidin-2-yl]isoquinoline
CID 104504524
5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine
CID 66293236
5-bromo-4,6-dichloro-2-(3-cyclopropylphenyl)pyrimidine
CID 79979983
5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 115568320
5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66299387

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine (CID 79980390) is 5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine is COCc1nc(-c2ccc(C3CC3)cc2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine?
The InChIKey is BFFOQOZDKUWLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-20-8-12-13(16)14(17)19-15(18-12)11-6-4-10(5-7-11)9-2-3-9/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine?
5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine has a molecular weight of 353.65 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 79980390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).