2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one

C17H13N3OS — CID 1228645

IUPAC2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sc(-c3ccccc3)cc2c(=O)n1-n1cccc1
InChIInChI=1S/C17H13N3OS/c1-12-18-16-14(17(21)20(12)19-9-5-6-10-19)11-15(22-16)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyAWACOTGVJWNWGJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.55
Rot. Bonds2

About 2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one

2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 1228645) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID1228645
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sc(-c3ccccc3)cc2c(=O)n1-n1cccc1
InChIInChI=1S/C17H13N3OS/c1-12-18-16-14(17(21)20(12)19-9-5-6-10-19)11-15(22-16)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyAWACOTGVJWNWGJ-UHFFFAOYSA-N
XLogP3.55
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-{[(E)-pyridin-4-ylmethylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CID 6858440
6-phenyl-3-(1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 706035
3-(2,5-Dimethylpyrrol-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 711116
Antimicrobial agent-21
CID 852961
6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2099944
5-Phenyl-2-(pyridin-2-ylamino)thiophene-3-carboxamide
CID 25127137
2-[(4-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127139
2-[(5-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127140
3-(2,5-Dimethylpyrrol-1-yl)-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 703898
3-(2,5-Dimethylpyrrol-1-yl)-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 706115

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one (CID 1228645) is 2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one is Cc1nc2sc(-c3ccccc3)cc2c(=O)n1-n1cccc1.
What is the InChIKey of 2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is AWACOTGVJWNWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-12-18-16-14(17(21)20(12)19-9-5-6-10-19)11-15(22-16)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 307.38 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1228645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).