3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile

C14H10N4OS — CID 102685743

IUPAC3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile
SMILESCc1csc2c(=O)n(Cc3cccnc3C#N)cnc12
InChIInChI=1S/C14H10N4OS/c1-9-7-20-13-12(9)17-8-18(14(13)19)6-10-3-2-4-16-11(10)5-15/h2-4,7-8H,6H2,1H3
InChIKeyRBNBPSJQBATCNU-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.08
Rot. Bonds2

About 3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile

3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile (PubChem CID 102685743) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile
PubChem CID102685743
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile
SMILESCc1csc2c(=O)n(Cc3cccnc3C#N)cnc12
InChIInChI=1S/C14H10N4OS/c1-9-7-20-13-12(9)17-8-18(14(13)19)6-10-3-2-4-16-11(10)5-15/h2-4,7-8H,6H2,1H3
InChIKeyRBNBPSJQBATCNU-UHFFFAOYSA-N
XLogP2.08
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685639
7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 146130098
3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 102685307
3-[(5-chlorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39804649
3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685652
7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685622
3-(1,3-benzothiazol-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685839
3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63205796
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
3-[(2-amino-6-bromophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685256
7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 102685489

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile (CID 102685743) is 3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile is Cc1csc2c(=O)n(Cc3cccnc3C#N)cnc12.
What is the InChIKey of 3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is RBNBPSJQBATCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c1-9-7-20-13-12(9)17-8-18(14(13)19)6-10-3-2-4-16-11(10)5-15/h2-4,7-8H,6H2,1H3.
What are the key properties of 3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile?
3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 282.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 102685743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).