5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile

C19H13N5S — CID 67382151

IUPAC5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile
SMILESN#Cc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H13N5S/c20-10-16-23-18(22-11-14-8-4-5-9-21-14)17-15(12-25-19(17)24-16)13-6-2-1-3-7-13/h1-9,12H,11H2,(H,22,23,24)
InChIKeyPRQWTCSEGDCSHW-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.24
Rot. Bonds4

About 5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile

5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile (PubChem CID 67382151) has the molecular formula C19H13N5S and a molecular weight of 343.42 g/mol. Its IUPAC name is 5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile
PubChem CID67382151
Molecular FormulaC19H13N5S
Molecular Weight343.42 g/mol
Exact Mass343.09
IUPAC Name5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile
SMILESN#Cc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H13N5S/c20-10-16-23-18(22-11-14-8-4-5-9-21-14)17-15(12-25-19(17)24-16)13-6-2-1-3-7-13/h1-9,12H,11H2,(H,22,23,24)
InChIKeyPRQWTCSEGDCSHW-UHFFFAOYSA-N
XLogP4.24
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68623687
2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11360029
5-phenyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9280016
2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68622417
2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 67382340
2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 87519051
2-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 146424626
N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 68621787
N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166060910
5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68621492
2-[[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol
CID 67382162
5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 66835775

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile?
The IUPAC name of 5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile (CID 67382151) is 5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile is N#Cc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile?
The InChIKey is PRQWTCSEGDCSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5S/c20-10-16-23-18(22-11-14-8-4-5-9-21-14)17-15(12-25-19(17)24-16)13-6-2-1-3-7-13/h1-9,12H,11H2,(H,22,23,24).
What are the key properties of 5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile?
5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile has a molecular weight of 343.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile is sourced from PubChem (CID 67382151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).