2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine

C15H16BrClN2 — CID 55185799

IUPAC2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine
SMILESCc1nc(Cc2cccc(Br)c2)nc(Cl)c1C(C)C
InChIInChI=1S/C15H16BrClN2/c1-9(2)14-10(3)18-13(19-15(14)17)8-11-5-4-6-12(16)7-11/h4-7,9H,8H2,1-3H3
InChIKeyXBPAJIGUAFHWPH-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.92
Rot. Bonds3

About 2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine

2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine (PubChem CID 55185799) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine
PubChem CID55185799
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine
SMILESCc1nc(Cc2cccc(Br)c2)nc(Cl)c1C(C)C
InChIInChI=1S/C15H16BrClN2/c1-9(2)14-10(3)18-13(19-15(14)17)8-11-5-4-6-12(16)7-11/h4-7,9H,8H2,1-3H3
InChIKeyXBPAJIGUAFHWPH-UHFFFAOYSA-N
XLogP4.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine
CID 55132630
4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 55251813
2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 62746332
4-chloro-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]-5-propan-2-ylpyrimidine
CID 66087152
1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 62771903
2-[(3-bromophenyl)methyl]-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 66293662
2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301314
2-[(3-bromophenyl)methyl]-4-chloro-6-cyclopropyl-5-iodopyrimidine
CID 66293895
2-[(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637567
2-[(3-bromophenyl)methyl]-4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470645
1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 62741909
N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63729625

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine (CID 55185799) is 2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine is Cc1nc(Cc2cccc(Br)c2)nc(Cl)c1C(C)C.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine?
The InChIKey is XBPAJIGUAFHWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-9(2)14-10(3)18-13(19-15(14)17)8-11-5-4-6-12(16)7-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine?
2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine has a molecular weight of 339.66 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 55185799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).