2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

C17H15N5OS — CID 11484509

IUPAC2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(-c3ccc(C#N)cc3C)nc(N)nc2s1
InChIInChI=1S/C17H15N5OS/c1-3-20-15(23)13-7-12-14(21-17(19)22-16(12)24-13)11-5-4-10(8-18)6-9(11)2/h4-7H,3H2,1-2H3,(H,20,23)(H2,19,21,22)
InChIKeyZUIRRFVWIHDBRR-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.87
Rot. Bonds3

About 2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 11484509) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID11484509
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(-c3ccc(C#N)cc3C)nc(N)nc2s1
InChIInChI=1S/C17H15N5OS/c1-3-20-15(23)13-7-12-14(21-17(19)22-16(12)24-13)11-5-4-10(8-18)6-9(11)2/h4-7H,3H2,1-2H3,(H,20,23)(H2,19,21,22)
InChIKeyZUIRRFVWIHDBRR-UHFFFAOYSA-N
XLogP2.87
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Amino-18,20-Dimethyl-7-Thia-3,5,11,15-Tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-Hexaene-10,16-Dione
CID 49784851
2-amino-4-(2,4-dichlorophenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 44129601
Thieno[2,3-d]pyrimidine, 21c
CID 11290334
Thieno[2,3-d]pyrimidine, 21b
CID 44220504
4-Amino-20,22-dimethyl-7-thia-3,5,11,17-tetrazatricyclo[17.3.1.12,6]tetracosa-1(23),2(24),3,5,19,21-hexaene-10,18-dione
CID 24905347
4-Amino-18,20-dimethyl-7-thia-3,5,12,15-tetrazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-11,16-dione
CID 25176817
4-Amino-19,21-dimethyl-7-thia-3,5,11,16-tetrazatricyclo[16.3.1.12,6]tricosa-1(22),2(23),3,5,18,20-hexaene-10,17-dione
CID 25176819
4-Amino-18,20-dimethyl-7-thia-3,5,10,15-tetrazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-11,16-dione
CID 25177087
Thieno[2,3-d]pyrimidine, 21a
CID 11415286
N-[2-(dimethylamino)ethyl]-3-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 127025790
Biphenyl-4-yl(4-(6-ethyl-2-(piperazin-1-yl)thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)methanone
CID 11955422
(4-(2-(4-Aminopiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)(biphenyl-4-yl)methanone
CID 45487837

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 11484509) is 2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1cc2c(-c3ccc(C#N)cc3C)nc(N)nc2s1.
What is the InChIKey of 2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZUIRRFVWIHDBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-3-20-15(23)13-7-12-14(21-17(19)22-16(12)24-13)11-5-4-10(8-18)6-9(11)2/h4-7H,3H2,1-2H3,(H,20,23)(H2,19,21,22).
What are the key properties of 2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-cyano-2-methylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 11484509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).