5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine

C12H10BrClFN3 — CID 66302862

IUPAC5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2ccc(F)cc2Cl)ncc1Br
InChIInChI=1S/C12H10BrClFN3/c1-16-12-9(13)6-17-11(18-12)4-7-2-3-8(15)5-10(7)14/h2-3,5-6H,4H2,1H3,(H,16,17,18)
InChIKeySJDJMWKQONFEAD-UHFFFAOYSA-N
MW330.59 g/mol
LogP3.66
Rot. Bonds3

About 5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine

5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 66302862) has the molecular formula C12H10BrClFN3 and a molecular weight of 330.59 g/mol. Its IUPAC name is 5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
PubChem CID66302862
Molecular FormulaC12H10BrClFN3
Molecular Weight330.59 g/mol
Exact Mass328.97
IUPAC Name5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2ccc(F)cc2Cl)ncc1Br
InChIInChI=1S/C12H10BrClFN3/c1-16-12-9(13)6-17-11(18-12)4-7-2-3-8(15)5-10(7)14/h2-3,5-6H,4H2,1H3,(H,16,17,18)
InChIKeySJDJMWKQONFEAD-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine
CID 66302468
2-[(2-chloro-4-fluorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307299
2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191498
2-[(2-chloro-4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 63038273
2-[(2-chloro-4-fluorophenyl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 63038444
2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine
CID 63037745
2-[(2-chloro-4-fluorophenyl)methyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299683
4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63034218
4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine
CID 66294711
2-[(2-chloro-4-fluorophenyl)methyl]pyrimidine-4-carboxylic acid
CID 63036011
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine
CID 66301835
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine (CID 66302862) is 5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine is CNc1nc(Cc2ccc(F)cc2Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is SJDJMWKQONFEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3/c1-16-12-9(13)6-17-11(18-12)4-7-2-3-8(15)5-10(7)14/h2-3,5-6H,4H2,1H3,(H,16,17,18).
What are the key properties of 5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine?
5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 330.59 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66302862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).