1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine

C13H13BrClN3 — CID 113337356

IUPAC1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine
SMILESCC(N)Cc1ccnc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C13H13BrClN3/c1-8(16)6-10-4-5-17-13(18-10)9-2-3-12(15)11(14)7-9/h2-5,7-8H,6,16H2,1H3
InChIKeyBRSAVTWHYVTUFE-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.45
Rot. Bonds3

About 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine

1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine (PubChem CID 113337356) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine
PubChem CID113337356
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine
SMILESCC(N)Cc1ccnc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C13H13BrClN3/c1-8(16)6-10-4-5-17-13(18-10)9-2-3-12(15)11(14)7-9/h2-5,7-8H,6,16H2,1H3
InChIKeyBRSAVTWHYVTUFE-UHFFFAOYSA-N
XLogP3.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745743
1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 103399718
1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine
CID 114016403
[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine
CID 81491774
1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745398
1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine
CID 106951252
1-[2-(4-nitrophenyl)pyrimidin-4-yl]propan-2-amine
CID 62746794
1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 115568456
[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 113337351
(1R)-1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904277
1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine
CID 115531275
5-bromo-2-(3-bromo-4-chlorophenyl)pyrimidin-4-amine
CID 115568327

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine (CID 113337356) is 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine is CC(N)Cc1ccnc(-c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine?
The InChIKey is BRSAVTWHYVTUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-8(16)6-10-4-5-17-13(18-10)9-2-3-12(15)11(14)7-9/h2-5,7-8H,6,16H2,1H3.
What are the key properties of 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine?
1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine has a molecular weight of 326.63 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 113337356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).