2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide

C17H18N4OS — CID 59519285

IUPAC2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)NC(=O)c1cc2c(-c3ccccc3)nc(N)nc2s1
InChIInChI=1S/C17H18N4OS/c1-3-10(2)19-15(22)13-9-12-14(11-7-5-4-6-8-11)20-17(18)21-16(12)23-13/h4-10H,3H2,1-2H3,(H,19,22)(H2,18,20,21)
InChIKeyPSQCARAQMSQMAX-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.47
Rot. Bonds4

About 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide

2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59519285) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59519285
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)NC(=O)c1cc2c(-c3ccccc3)nc(N)nc2s1
InChIInChI=1S/C17H18N4OS/c1-3-10(2)19-15(22)13-9-12-14(11-7-5-4-6-8-11)20-17(18)21-16(12)23-13/h4-10H,3H2,1-2H3,(H,19,22)(H2,18,20,21)
InChIKeyPSQCARAQMSQMAX-UHFFFAOYSA-N
XLogP3.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-butan-2-yl-4-phenylthieno[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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide (CID 59519285) is 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide is CCC(C)NC(=O)c1cc2c(-c3ccccc3)nc(N)nc2s1.
What is the InChIKey of 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PSQCARAQMSQMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-3-10(2)19-15(22)13-9-12-14(11-7-5-4-6-8-11)20-17(18)21-16(12)23-13/h4-10H,3H2,1-2H3,(H,19,22)(H2,18,20,21).
What are the key properties of 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59519285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).