2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide

C17H19N5OS — CID 11359791

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c(-c3ccccc3)nc(N)nc2s1
InChIInChI=1S/C17H19N5OS/c1-22(2)9-8-19-15(23)13-10-12-14(11-6-4-3-5-7-11)20-17(18)21-16(12)24-13/h3-7,10H,8-9H2,1-2H3,(H,19,23)(H2,18,20,21)
InChIKeyYVHNPMLARHNWET-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.23
Rot. Bonds5

About 2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide

2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 11359791) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID11359791
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c(-c3ccccc3)nc(N)nc2s1
InChIInChI=1S/C17H19N5OS/c1-22(2)9-8-19-15(23)13-10-12-14(11-6-4-3-5-7-11)20-17(18)21-16(12)24-13/h3-7,10H,8-9H2,1-2H3,(H,19,23)(H2,18,20,21)
InChIKeyYVHNPMLARHNWET-UHFFFAOYSA-N
XLogP2.23
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide (CID 11359791) is 2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide is CN(C)CCNC(=O)c1cc2c(-c3ccccc3)nc(N)nc2s1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YVHNPMLARHNWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-22(2)9-8-19-15(23)13-10-12-14(11-6-4-3-5-7-11)20-17(18)21-16(12)24-13/h3-7,10H,8-9H2,1-2H3,(H,19,23)(H2,18,20,21).
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 11359791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).