6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile

C19H13N5S — CID 45274224

IUPAC6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)n1
InChIInChI=1S/C19H13N5S/c20-11-13-7-4-8-16(22-13)18-23-17(21)15-10-14(25-19(15)24-18)9-12-5-2-1-3-6-12/h1-8,10H,9H2,(H2,21,23,24)
InChIKeyBCIJZIDPONGWKE-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.80
Rot. Bonds3

About 6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile

6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile (PubChem CID 45274224) has the molecular formula C19H13N5S and a molecular weight of 343.42 g/mol. Its IUPAC name is 6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile
PubChem CID45274224
Molecular FormulaC19H13N5S
Molecular Weight343.42 g/mol
Exact Mass343.09
IUPAC Name6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)n1
InChIInChI=1S/C19H13N5S/c20-11-13-7-4-8-16(22-13)18-23-17(21)15-10-14(25-19(15)24-18)9-12-5-2-1-3-6-12/h1-8,10H,9H2,(H2,21,23,24)
InChIKeyBCIJZIDPONGWKE-UHFFFAOYSA-N
XLogP3.80
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile (CID 45274224) is 6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile is N#Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)n1.
What is the InChIKey of 6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile?
The InChIKey is BCIJZIDPONGWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5S/c20-11-13-7-4-8-16(22-13)18-23-17(21)15-10-14(25-19(15)24-18)9-12-5-2-1-3-6-12/h1-8,10H,9H2,(H2,21,23,24).
What are the key properties of 6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile?
6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile has a molecular weight of 343.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 45274224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).