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

C11H13N3S — CID 115530132

IUPAC(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1nccc(C(N)c2sccc2C)n1
InChIInChI=1S/C11H13N3S/c1-7-4-6-15-11(7)10(12)9-3-5-13-8(2)14-9/h3-6,10H,12H2,1-2H3
InChIKeyJDVBOODHWYZERU-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.20
Rot. Bonds2

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

(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 115530132) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
PubChem CID115530132
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1nccc(C(N)c2sccc2C)n1
InChIInChI=1S/C11H13N3S/c1-7-4-6-15-11(7)10(12)9-3-5-13-8(2)14-9/h3-6,10H,12H2,1-2H3
InChIKeyJDVBOODHWYZERU-UHFFFAOYSA-N
XLogP2.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530329
[(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105260530
(3-methylthiophen-2-yl)-pyridin-2-ylmethanamine
CID 79989254
(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530103
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 107360093
(3-methylthiophen-2-yl)-quinolin-8-ylmethanamine
CID 113230034
(6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102950671
(6-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanamine
CID 115854886
(3-methylthiophen-2-yl)-pyrimidin-5-ylmethanamine
CID 115827446
(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 78973972
(2-methylpyrimidin-4-yl)-pyridin-3-ylmethanamine
CID 115530395
(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 103433834

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine (CID 115530132) is (2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine is Cc1nccc(C(N)c2sccc2C)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is JDVBOODHWYZERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-7-4-6-15-11(7)10(12)9-3-5-13-8(2)14-9/h3-6,10H,12H2,1-2H3.
What are the key properties of (2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine?
(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 219.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 115530132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).