3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one

C21H20N4OS — CID 46943047

IUPAC3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccccc1-c1cc2nc(NCCc3ccncc3)n(C)c(=O)c2s1
InChIInChI=1S/C21H20N4OS/c1-14-5-3-4-6-16(14)18-13-17-19(27-18)20(26)25(2)21(24-17)23-12-9-15-7-10-22-11-8-15/h3-8,10-11,13H,9,12H2,1-2H3,(H,23,24)
InChIKeyAKTHYINZAQUEMF-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.02
Rot. Bonds5

About 3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one

3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 46943047) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one
PubChem CID46943047
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccccc1-c1cc2nc(NCCc3ccncc3)n(C)c(=O)c2s1
InChIInChI=1S/C21H20N4OS/c1-14-5-3-4-6-16(14)18-13-17-19(27-18)20(26)25(2)21(24-17)23-12-9-15-7-10-22-11-8-15/h3-8,10-11,13H,9,12H2,1-2H3,(H,23,24)
InChIKeyAKTHYINZAQUEMF-UHFFFAOYSA-N
XLogP4.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

Benzothienopyrimidinone deriv., 16a
CID 135927963
5-(4-Methylphenyl)-13-(2-methylprop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54585405
2-amino-6-ethyl-5-(4-pyridylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 44221347
3-Ethyl-2-(Propan-2-Ylamino)-7-(Pyridin-3-Yl)thieno[3,2-D]pyrimidin-4(3h)-One
CID 91667427
2-(Cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one
CID 118720007
Methyl 3-[3-ethyl-2-[(3-fluoro-4-pyridinyl)amino]-4-oxothieno[3,2-d]pyrimidin-7-yl]piperidine-1-carboxylate
CID 118724093
1-[3-[3-Ethyl-2-[(3-fluoro-4-pyridinyl)amino]-4-oxothieno[3,2-d]pyrimidin-7-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118724095
6-methyl-5-phenyl-2-(pyridin-3-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 852962
6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2106365
2-(butanoylamino)-N-(pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3153379
6-Methyl-5-phenyl-2-(pyridin-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 852961
6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2099944

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one (CID 46943047) is 3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one is Cc1ccccc1-c1cc2nc(NCCc3ccncc3)n(C)c(=O)c2s1.
What is the InChIKey of 3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is AKTHYINZAQUEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14-5-3-4-6-16(14)18-13-17-19(27-18)20(26)25(2)21(24-17)23-12-9-15-7-10-22-11-8-15/h3-8,10-11,13H,9,12H2,1-2H3,(H,23,24).
What are the key properties of 3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one?
3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 376.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 46943047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).