(3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine

C10H10BrN3S — CID 115530329

IUPAC(3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(C(N)c2sccc2Br)n1
InChIInChI=1S/C10H10BrN3S/c1-6-13-4-2-8(14-6)9(12)10-7(11)3-5-15-10/h2-5,9H,12H2,1H3
InChIKeyJXMJCVYTZGNATM-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.66
Rot. Bonds2

About (3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine

(3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 115530329) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine
PubChem CID115530329
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name(3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(C(N)c2sccc2Br)n1
InChIInChI=1S/C10H10BrN3S/c1-6-13-4-2-8(14-6)9(12)10-7(11)3-5-15-10/h2-5,9H,12H2,1H3
InChIKeyJXMJCVYTZGNATM-UHFFFAOYSA-N
XLogP2.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 115530132
[(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105260530
(3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105173000
(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530103
(3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine
CID 105173057
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028
(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine
CID 105172942
(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 55240105
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 107360093
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
(2-methylpyrimidin-4-yl)-pyridin-3-ylmethanamine
CID 115530395

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine (CID 115530329) is (3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine is Cc1nccc(C(N)c2sccc2Br)n1.
What is the InChIKey of (3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is JXMJCVYTZGNATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-6-13-4-2-8(14-6)9(12)10-7(11)3-5-15-10/h2-5,9H,12H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine?
(3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 284.18 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 115530329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).