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

C11H12BrN3S — CID 116897913

IUPAC1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine
SMILESCC(N)Cc1nccc(-c2ccc(Br)s2)n1
InChIInChI=1S/C11H12BrN3S/c1-7(13)6-11-14-5-4-8(15-11)9-2-3-10(12)16-9/h2-5,7H,6,13H2,1H3
InChIKeyKZXBEEWTUZRRGJ-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.86
Rot. Bonds3

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

1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine (PubChem CID 116897913) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine
PubChem CID116897913
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine
SMILESCC(N)Cc1nccc(-c2ccc(Br)s2)n1
InChIInChI=1S/C11H12BrN3S/c1-7(13)6-11-14-5-4-8(15-11)9-2-3-10(12)16-9/h2-5,7H,6,13H2,1H3
InChIKeyKZXBEEWTUZRRGJ-UHFFFAOYSA-N
XLogP2.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
CID 116898266
1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652862
2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
CID 82490188
1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine
CID 63318928
4-(5-bromothiophen-2-yl)-2-chloropyrimidine
CID 15141655
3-amino-3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propanoic acid
CID 116902332
1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115086566
(2R)-1-pyrimidin-2-ylpropan-2-amine
CID 95028657
[1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902544
4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine
CID 116903682
1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine
CID 116897942
1-[4-[(4-chlorophenyl)methyl]pyrimidin-2-yl]propan-2-amine
CID 82666283

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine?
The IUPAC name of 1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine (CID 116897913) is 1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine?
The canonical SMILES for 1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine is CC(N)Cc1nccc(-c2ccc(Br)s2)n1.
What is the InChIKey of 1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine?
The InChIKey is KZXBEEWTUZRRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-7(13)6-11-14-5-4-8(15-11)9-2-3-10(12)16-9/h2-5,7H,6,13H2,1H3.
What are the key properties of 1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine?
1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine has a molecular weight of 298.21 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine is sourced from PubChem (CID 116897913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).