2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

C17H23N3O2S — CID 35252949

IUPAC2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)N[C@@H](C)[C@H]3CCCO3)sc2n1
InChIInChI=1S/C17H23N3O2S/c1-5-13-18-11(4)14-9(2)15(23-17(14)20-13)16(21)19-10(3)12-7-6-8-22-12/h10,12H,5-8H2,1-4H3,(H,19,21)/t10-,12+/m0/s1
InChIKeyDTIAHIQXUKBZIA-CMPLNLGQSA-N
MW333.46 g/mol
LogP3.17
Rot. Bonds4

About 2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 35252949) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID35252949
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)N[C@@H](C)[C@H]3CCCO3)sc2n1
InChIInChI=1S/C17H23N3O2S/c1-5-13-18-11(4)14-9(2)15(23-17(14)20-13)16(21)19-10(3)12-7-6-8-22-12/h10,12H,5-8H2,1-4H3,(H,19,21)/t10-,12+/m0/s1
InChIKeyDTIAHIQXUKBZIA-CMPLNLGQSA-N
XLogP3.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 35252949) is 2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is CCc1nc(C)c2c(C)c(C(=O)N[C@@H](C)[C@H]3CCCO3)sc2n1.
What is the InChIKey of 2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DTIAHIQXUKBZIA-CMPLNLGQSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-5-13-18-11(4)14-9(2)15(23-17(14)20-13)16(21)19-10(3)12-7-6-8-22-12/h10,12H,5-8H2,1-4H3,(H,19,21)/t10-,12+/m0/s1.
What are the key properties of 2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 35252949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).