3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine

C12H14BrN3S — CID 116898266

IUPAC3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
SMILESCC(CN)Cc1nccc(-c2ccc(Br)s2)n1
InChIInChI=1S/C12H14BrN3S/c1-8(7-14)6-12-15-5-4-9(16-12)10-2-3-11(13)17-10/h2-5,8H,6-7,14H2,1H3
InChIKeyJUXGFYLMQZOIII-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.10
Rot. Bonds4

About 3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine

3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine (PubChem CID 116898266) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
PubChem CID116898266
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
SMILESCC(CN)Cc1nccc(-c2ccc(Br)s2)n1
InChIInChI=1S/C12H14BrN3S/c1-8(7-14)6-12-15-5-4-9(16-12)10-2-3-11(13)17-10/h2-5,8H,6-7,14H2,1H3
InChIKeyJUXGFYLMQZOIII-UHFFFAOYSA-N
XLogP3.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116897913
2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898304
2-methyl-3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898293
2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine
CID 116898246
2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
CID 82490188
3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine
CID 116898247
2-methyl-3-(4-propylpyrimidin-2-yl)propan-1-amine
CID 116898245
2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine
CID 82477239
4-(5-bromothiophen-2-yl)-2-chloropyrimidine
CID 15141655
[1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902544
2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]butan-1-amine
CID 116903124
3-amino-3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propanoic acid
CID 116902332

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine (CID 116898266) is 3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine is CC(CN)Cc1nccc(-c2ccc(Br)s2)n1.
What is the InChIKey of 3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine?
The InChIKey is JUXGFYLMQZOIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-8(7-14)6-12-15-5-4-9(16-12)10-2-3-11(13)17-10/h2-5,8H,6-7,14H2,1H3.
What are the key properties of 3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine?
3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine has a molecular weight of 312.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116898266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).