2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine

C16H18N4S — CID 81146424

IUPAC2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccnc(-c2cnc3ccsc3c2)n1
InChIInChI=1S/C16H18N4S/c1-16(2,3)19-10-12-4-6-17-15(20-12)11-8-14-13(18-9-11)5-7-21-14/h4-9,19H,10H2,1-3H3
InChIKeyNGJZGDKGTMTQPQ-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.64
Rot. Bonds3

About 2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine

2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine (PubChem CID 81146424) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine
PubChem CID81146424
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccnc(-c2cnc3ccsc3c2)n1
InChIInChI=1S/C16H18N4S/c1-16(2,3)19-10-12-4-6-17-15(20-12)11-8-14-13(18-9-11)5-7-21-14/h4-9,19H,10H2,1-3H3
InChIKeyNGJZGDKGTMTQPQ-UHFFFAOYSA-N
XLogP3.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-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-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine (CID 81146424) is 2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine is CC(C)(C)NCc1ccnc(-c2cnc3ccsc3c2)n1.
What is the InChIKey of 2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine?
The InChIKey is NGJZGDKGTMTQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-16(2,3)19-10-12-4-6-17-15(20-12)11-8-14-13(18-9-11)5-7-21-14/h4-9,19H,10H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine?
2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine has a molecular weight of 298.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 81146424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).