2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C19H25N3O3S — CID 99774354

IUPAC2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)NC[C@@H](O)C3CCOCC3)c(C)c12
InChIInChI=1S/C19H25N3O3S/c1-10-15-11(2)21-17(13-3-4-13)22-19(15)26-16(10)18(24)20-9-14(23)12-5-7-25-8-6-12/h12-14,23H,3-9H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyDOEZIAYTQBZDHD-CQSZACIVSA-N
MW375.49 g/mol
LogP2.70
Rot. Bonds5

About 2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 99774354) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID99774354
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)NC[C@@H](O)C3CCOCC3)c(C)c12
InChIInChI=1S/C19H25N3O3S/c1-10-15-11(2)21-17(13-3-4-13)22-19(15)26-16(10)18(24)20-9-14(23)12-5-7-25-8-6-12/h12-14,23H,3-9H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyDOEZIAYTQBZDHD-CQSZACIVSA-N
XLogP2.70
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[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-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 99774354) is 2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C2CC2)nc2sc(C(=O)NC[C@@H](O)C3CCOCC3)c(C)c12.
What is the InChIKey of 2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DOEZIAYTQBZDHD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-10-15-11(2)21-17(13-3-4-13)22-19(15)26-16(10)18(24)20-9-14(23)12-5-7-25-8-6-12/h12-14,23H,3-9H2,1-2H3,(H,20,24)/t14-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 99774354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).