3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide

C18H25N3O2S — CID 100671445

IUPAC3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCCC[C@H]2C(C)C)sc2ncn(C)c(=O)c12
InChIInChI=1S/C18H25N3O2S/c1-10(2)12-7-5-6-8-13(12)20-16(22)15-11(3)14-17(24-15)19-9-21(4)18(14)23/h9-10,12-13H,5-8H2,1-4H3,(H,20,22)/t12-,13-/m0/s1
InChIKeyHBWYXTZOXUTCKW-STQMWFEESA-N
MW347.48 g/mol
LogP3.25
Rot. Bonds3

About 3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide

3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 100671445) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID100671445
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCCC[C@H]2C(C)C)sc2ncn(C)c(=O)c12
InChIInChI=1S/C18H25N3O2S/c1-10(2)12-7-5-6-8-13(12)20-16(22)15-11(3)14-17(24-15)19-9-21(4)18(14)23/h9-10,12-13H,5-8H2,1-4H3,(H,20,22)/t12-,13-/m0/s1
InChIKeyHBWYXTZOXUTCKW-STQMWFEESA-N
XLogP3.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[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

N-(2-cyclohexylethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 53498116
3,5-dimethyl-4-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 38197107
N-cyclohexyl-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23960515
3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55717832
3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 71901626
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 51497926
N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 60549118
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 15999563
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 77084554
3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 26691237
3,5-dimethyl-4-oxo-N-(9H-xanthen-9-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 56547416
3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 51273228

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 100671445) is 3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N[C@H]2CCCC[C@H]2C(C)C)sc2ncn(C)c(=O)c12.
What is the InChIKey of 3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HBWYXTZOXUTCKW-STQMWFEESA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-10(2)12-7-5-6-8-13(12)20-16(22)15-11(3)14-17(24-15)19-9-21(4)18(14)23/h9-10,12-13H,5-8H2,1-4H3,(H,20,22)/t12-,13-/m0/s1.
What are the key properties of 3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide?
3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 100671445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).