2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine

C12H12BrN3S — CID 63354503

IUPAC2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(-c2ccc(Br)s2)n1
InChIInChI=1S/C12H12BrN3S/c1-14-11-6-8(7-2-3-7)15-12(16-11)9-4-5-10(13)17-9/h4-7H,2-3H2,1H3,(H,14,15,16)
InChIKeyXFXWXHWAXSYMGC-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.89
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine

2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 63354503) has the molecular formula C12H12BrN3S and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID63354503
Molecular FormulaC12H12BrN3S
Molecular Weight310.22 g/mol
Exact Mass308.99
IUPAC Name2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(-c2ccc(Br)s2)n1
InChIInChI=1S/C12H12BrN3S/c1-14-11-6-8(7-2-3-7)15-12(16-11)9-4-5-10(13)17-9/h4-7H,2-3H2,1H3,(H,14,15,16)
InChIKeyXFXWXHWAXSYMGC-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine (CID 63354503) is 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine is CNc1cc(C2CC2)nc(-c2ccc(Br)s2)n1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is XFXWXHWAXSYMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3S/c1-14-11-6-8(7-2-3-7)15-12(16-11)9-4-5-10(13)17-9/h4-7H,2-3H2,1H3,(H,14,15,16).
What are the key properties of 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 310.22 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63354503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).