5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine

C15H15BrClFN2O — CID 66293445

IUPAC5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(C(C)(C)c2ccc(F)cc2)nc(Cl)c1Br
InChIInChI=1S/C15H15BrClFN2O/c1-15(2,9-4-6-10(18)7-5-9)14-19-11(8-21-3)12(16)13(17)20-14/h4-7H,8H2,1-3H3
InChIKeyAFLAYDKLRORPQG-UHFFFAOYSA-N
MW373.65 g/mol
LogP4.50
Rot. Bonds4

About 5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine

5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine (PubChem CID 66293445) has the molecular formula C15H15BrClFN2O and a molecular weight of 373.65 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine
PubChem CID66293445
Molecular FormulaC15H15BrClFN2O
Molecular Weight373.65 g/mol
Exact Mass372.00
IUPAC Name5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(C(C)(C)c2ccc(F)cc2)nc(Cl)c1Br
InChIInChI=1S/C15H15BrClFN2O/c1-15(2,9-4-6-10(18)7-5-9)14-19-11(8-21-3)12(16)13(17)20-14/h4-7H,8H2,1-3H3
InChIKeyAFLAYDKLRORPQG-UHFFFAOYSA-N
XLogP4.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.65
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine
CID 64758340
4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidine
CID 64758146
4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine
CID 64758151
5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine
CID 66293853
5-bromo-4-chloro-6-(methoxymethyl)-2-(4-propan-2-ylphenyl)pyrimidine
CID 66292223
5-bromo-2-[(4-bromophenyl)sulfanylmethyl]-4-chloro-6-(methoxymethyl)pyrimidine
CID 66293237
5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine
CID 66294471
1-fluoro-4-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 22572271
5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine
CID 66293231
5-bromo-4-chloro-2-(4-cyclopropylphenyl)-6-(methoxymethyl)pyrimidine
CID 79980390
5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine
CID 66294671
2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 64767992

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine (CID 66293445) is 5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine is COCc1nc(C(C)(C)c2ccc(F)cc2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine?
The InChIKey is AFLAYDKLRORPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClFN2O/c1-15(2,9-4-6-10(18)7-5-9)14-19-11(8-21-3)12(16)13(17)20-14/h4-7H,8H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine?
5-bromo-4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine has a molecular weight of 373.65 g/mol, XLogP of 4.50, 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-[2-(4-fluorophenyl)propan-2-yl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 66293445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).