3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine

C14H16BrN3 — CID 116892905

IUPAC3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
SMILESCc1cc(-c2cccc(Br)c2)nc(CCCN)n1
InChIInChI=1S/C14H16BrN3/c1-10-8-13(11-4-2-5-12(15)9-11)18-14(17-10)6-3-7-16/h2,4-5,8-9H,3,6-7,16H2,1H3
InChIKeyOTBKXPAOIVSZSX-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.11
Rot. Bonds4

About 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine

3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine (PubChem CID 116892905) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
PubChem CID116892905
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
SMILESCc1cc(-c2cccc(Br)c2)nc(CCCN)n1
InChIInChI=1S/C14H16BrN3/c1-10-8-13(11-4-2-5-12(15)9-11)18-14(17-10)6-3-7-16/h2,4-5,8-9H,3,6-7,16H2,1H3
InChIKeyOTBKXPAOIVSZSX-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine
CID 116893114
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892881
3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892896
4-(3-bromophenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894958
3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 114079195
3-(2-ethyl-6-methylpyrimidin-4-yl)aniline
CID 105466933
N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
CID 116892926
2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine
CID 57468750
6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 113324696
[2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 62743751
4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butanoic acid
CID 116894139

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine?
The IUPAC name of 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine (CID 116892905) is 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine is Cc1cc(-c2cccc(Br)c2)nc(CCCN)n1.
What is the InChIKey of 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine?
The InChIKey is OTBKXPAOIVSZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-8-13(11-4-2-5-12(15)9-11)18-14(17-10)6-3-7-16/h2,4-5,8-9H,3,6-7,16H2,1H3.
What are the key properties of 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine?
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine has a molecular weight of 306.21 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 116892905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).