(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine

C12H13N3S — CID 107931477

IUPAC(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine
SMILESCc1ccc(Sc2ccncn2)c(CN)c1
InChIInChI=1S/C12H13N3S/c1-9-2-3-11(10(6-9)7-13)16-12-4-5-14-8-15-12/h2-6,8H,7,13H2,1H3
InChIKeyIREGIIMQZGLEOA-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.39
Rot. Bonds3

About (5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine

(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine (PubChem CID 107931477) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is (5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine
PubChem CID107931477
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine
SMILESCc1ccc(Sc2ccncn2)c(CN)c1
InChIInChI=1S/C12H13N3S/c1-9-2-3-11(10(6-9)7-13)16-12-4-5-14-8-15-12/h2-6,8H,7,13H2,1H3
InChIKeyIREGIIMQZGLEOA-UHFFFAOYSA-N
XLogP2.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-methyl-2-pyrimidin-4-ylsulfanylphenyl)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

N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine
CID 114055422
(4-chloro-2-pyrimidin-4-ylsulfanylphenyl)methanamine
CID 63696942
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
CID 107931496
(2-bromo-3-fluoro-4-pyrimidin-4-ylsulfanylphenyl)methanamine
CID 107537590
[5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 107931425
1-(5-chloro-2-pyrimidin-4-ylsulfanylphenyl)butan-2-amine
CID 114866366
5-(aminomethyl)-2-pyrimidin-4-ylsulfanylbenzonitrile
CID 114063939
(3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine
CID 80514580
(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride
CID 66876860
N-[(5-chloro-2-pyrimidin-4-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 114864692
[2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine
CID 107931418
[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
CID 107931460

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine?
The IUPAC name of (5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine (CID 107931477) is (5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine.
What is the SMILES notation for (5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine?
The canonical SMILES for (5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine is Cc1ccc(Sc2ccncn2)c(CN)c1.
What is the InChIKey of (5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine?
The InChIKey is IREGIIMQZGLEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-9-2-3-11(10(6-9)7-13)16-12-4-5-14-8-15-12/h2-6,8H,7,13H2,1H3.
What are the key properties of (5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine?
(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine has a molecular weight of 231.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine is sourced from PubChem (CID 107931477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).