[2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone

C19H16N4OS2 — CID 46883074

IUPAC[2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2nc(N(C)Cc3cccnc3)nc3ccsc23)s1
InChIInChI=1S/C19H16N4OS2/c1-12-5-6-15(26-12)17(24)16-18-14(7-9-25-18)21-19(22-16)23(2)11-13-4-3-8-20-10-13/h3-10H,11H2,1-2H3
InChIKeyVVLORNBXNONRLN-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.32
Rot. Bonds5

About [2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone

[2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 46883074) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is [2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID46883074
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC Name[2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2nc(N(C)Cc3cccnc3)nc3ccsc23)s1
InChIInChI=1S/C19H16N4OS2/c1-12-5-6-15(26-12)17(24)16-18-14(7-9-25-18)21-19(22-16)23(2)11-13-4-3-8-20-10-13/h3-10H,11H2,1-2H3
InChIKeyVVLORNBXNONRLN-UHFFFAOYSA-N
XLogP4.32
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone 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

(5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 46883108
N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350
methyl 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylate
CID 68774317
(5-methylfuran-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 46883109
5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 40694381
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230103
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 55125410
N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 68772018
2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569290
N-methyl-N-(pyridin-3-ylmethyl)thiophen-2-amine
CID 154729661
N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230099
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 29087477

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone (CID 46883074) is [2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2nc(N(C)Cc3cccnc3)nc3ccsc23)s1.
What is the InChIKey of [2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is VVLORNBXNONRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-12-5-6-15(26-12)17(24)16-18-14(7-9-25-18)21-19(22-16)23(2)11-13-4-3-8-20-10-13/h3-10H,11H2,1-2H3.
What are the key properties of [2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone?
[2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 380.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 46883074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).