3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile

C15H12N4OS — CID 103331695

IUPAC3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile
SMILESCNc1nc(Oc2cccc(C#N)c2)c2cc(C)sc2n1
InChIInChI=1S/C15H12N4OS/c1-9-6-12-13(18-15(17-2)19-14(12)21-9)20-11-5-3-4-10(7-11)8-16/h3-7H,1-2H3,(H,17,18,19)
InChIKeyUGSVBNSFCALIPI-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.71
Rot. Bonds3

About 3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile

3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile (PubChem CID 103331695) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile
PubChem CID103331695
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile
SMILESCNc1nc(Oc2cccc(C#N)c2)c2cc(C)sc2n1
InChIInChI=1S/C15H12N4OS/c1-9-6-12-13(18-15(17-2)19-14(12)21-9)20-11-5-3-4-10(7-11)8-16/h3-7H,1-2H3,(H,17,18,19)
InChIKeyUGSVBNSFCALIPI-UHFFFAOYSA-N
XLogP3.71
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 103336136
4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331812
3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 103336137
4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331886
4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103332822
3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]oxybenzonitrile
CID 80988952
4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103333313
N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332952
3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80917818
3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy](13C,15N)benzonitrile
CID 10611771
[4-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 103336262
4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103332845

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile (CID 103331695) is 3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile is CNc1nc(Oc2cccc(C#N)c2)c2cc(C)sc2n1.
What is the InChIKey of 3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is UGSVBNSFCALIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-9-6-12-13(18-15(17-2)19-14(12)21-9)20-11-5-3-4-10(7-11)8-16/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile?
3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile has a molecular weight of 296.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 103331695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).