2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C21H18N4OS — CID 11176281

IUPAC2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1nc(-c2ccccc2)c2cc(C(=O)NCCc3ccccc3)sc2n1
InChIInChI=1S/C21H18N4OS/c22-21-24-18(15-9-5-2-6-10-15)16-13-17(27-20(16)25-21)19(26)23-12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,23,26)(H2,22,24,25)
InChIKeyQHDPZYPNCLOIAG-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.91
Rot. Bonds5

About 2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 11176281) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID11176281
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1nc(-c2ccccc2)c2cc(C(=O)NCCc3ccccc3)sc2n1
InChIInChI=1S/C21H18N4OS/c22-21-24-18(15-9-5-2-6-10-15)16-13-17(27-20(16)25-21)19(26)23-12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,23,26)(H2,22,24,25)
InChIKeyQHDPZYPNCLOIAG-UHFFFAOYSA-N
XLogP3.91
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 11176281) is 2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Nc1nc(-c2ccccc2)c2cc(C(=O)NCCc3ccccc3)sc2n1.
What is the InChIKey of 2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QHDPZYPNCLOIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c22-21-24-18(15-9-5-2-6-10-15)16-13-17(27-20(16)25-21)19(26)23-12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,23,26)(H2,22,24,25).
What are the key properties of 2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 11176281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).