4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile

C14H10N4O2S — CID 103331744

IUPAC4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1Oc1nc(N)nc2sccc12
InChIInChI=1S/C14H10N4O2S/c1-19-11-6-8(7-15)2-3-10(11)20-12-9-4-5-21-13(9)18-14(16)17-12/h2-6H,1H3,(H2,16,17,18)
InChIKeyZSZAWEGBGKQFSA-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.95
Rot. Bonds3

About 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile

4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile (PubChem CID 103331744) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile
PubChem CID103331744
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1Oc1nc(N)nc2sccc12
InChIInChI=1S/C14H10N4O2S/c1-19-11-6-8(7-15)2-3-10(11)20-12-9-4-5-21-13(9)18-14(16)17-12/h2-6H,1H3,(H2,16,17,18)
InChIKeyZSZAWEGBGKQFSA-UHFFFAOYSA-N
XLogP2.95
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 79915853
4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile
CID 103327486
4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile
CID 16781104
3-methoxy-4-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 102749502
4-[[4-amino-6-(4-cyanoanilino)-1,3,5-triazin-2-yl]oxy]-3-methoxybenzonitrile
CID 505506
5-amino-6-(4-cyano-2-methoxyphenoxy)pyridine-2-carboxamide
CID 114408412
3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 9195351
4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile
CID 103329290
4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333341
4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333492
5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 115487862
3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 103336137

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile?
The IUPAC name of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile (CID 103331744) is 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile.
What is the SMILES notation for 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile?
The canonical SMILES for 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile is COc1cc(C#N)ccc1Oc1nc(N)nc2sccc12.
What is the InChIKey of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile?
The InChIKey is ZSZAWEGBGKQFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c1-19-11-6-8(7-15)2-3-10(11)20-12-9-4-5-21-13(9)18-14(16)17-12/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile?
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile has a molecular weight of 298.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile is sourced from PubChem (CID 103331744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).