3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile

C21H17N5S — CID 45274636

IUPAC3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile
SMILESCCC(c1ccccn1)c1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1
InChIInChI=1S/C21H17N5S/c1-2-15(17-8-3-4-9-24-17)18-11-16-19(23)25-20(26-21(16)27-18)14-7-5-6-13(10-14)12-22/h3-11,15H,2H2,1H3,(H2,23,25,26)
InChIKeyQBNGARKPMPJZIE-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.75
Rot. Bonds4

About 3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile

3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile (PubChem CID 45274636) has the molecular formula C21H17N5S and a molecular weight of 371.47 g/mol. Its IUPAC name is 3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile
PubChem CID45274636
Molecular FormulaC21H17N5S
Molecular Weight371.47 g/mol
Exact Mass371.12
IUPAC Name3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile
SMILESCCC(c1ccccn1)c1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1
InChIInChI=1S/C21H17N5S/c1-2-15(17-8-3-4-9-24-17)18-11-16-19(23)25-20(26-21(16)27-18)14-7-5-6-13(10-14)12-22/h3-11,15H,2H2,1H3,(H2,23,25,26)
InChIKeyQBNGARKPMPJZIE-UHFFFAOYSA-N
XLogP4.75
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
CID 70901414
3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
CID 59278078
3-[4-amino-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45278618
3-[6-[(3-bromo-2-pyridinyl)-hydroxymethyl]-4-ethylthieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 91568991
3-[4-[3-[4-amino-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]anilino]-6-[hydroxy-(2-piperidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 91279894
4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45275524
[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
CID 59278013
2-pyrazin-2-yl-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 68605859
4-amino-2-(3-cyanophenyl)-6-(2-methoxyethoxy)pyrimidine-5-carboxylic acid
CID 155435448
ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976488
tert-butyl N-[6-[(3-bromo-2-pyridinyl)-hydroxymethyl]-2-(3-cyanophenyl)thieno[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 59278007
3-(2-amino-1,3-thiazol-5-yl)benzonitrile
CID 61025504

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile?
The IUPAC name of 3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile (CID 45274636) is 3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile.
What is the SMILES notation for 3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile?
The canonical SMILES for 3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile is CCC(c1ccccn1)c1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1.
What is the InChIKey of 3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile?
The InChIKey is QBNGARKPMPJZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5S/c1-2-15(17-8-3-4-9-24-17)18-11-16-19(23)25-20(26-21(16)27-18)14-7-5-6-13(10-14)12-22/h3-11,15H,2H2,1H3,(H2,23,25,26).
What are the key properties of 3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile?
3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile has a molecular weight of 371.47 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile is sourced from PubChem (CID 45274636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).