4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

C20H28N4OS — CID 26359352

IUPAC4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C(C)C)sc2ncnc(NCCC3=CCCCC3)c12
InChIInChI=1S/C20H28N4OS/c1-13(2)24(4)20(25)17-14(3)16-18(22-12-23-19(16)26-17)21-11-10-15-8-6-5-7-9-15/h8,12-13H,5-7,9-11H2,1-4H3,(H,21,22,23)
InChIKeyWKKSESHQFIAIFF-UHFFFAOYSA-N
MW372.54 g/mol
LogP4.78
Rot. Bonds6

About 4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26359352) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID26359352
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C(C)C)sc2ncnc(NCCC3=CCCCC3)c12
InChIInChI=1S/C20H28N4OS/c1-13(2)24(4)20(25)17-14(3)16-18(22-12-23-19(16)26-17)21-11-10-15-8-6-5-7-9-15/h8,12-13H,5-7,9-11H2,1-4H3,(H,21,22,23)
InChIKeyWKKSESHQFIAIFF-UHFFFAOYSA-N
XLogP4.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26358385
4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26337682
4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26403096
N-[2-(cyclohexen-1-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 4525988
4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42248244
N-(2-hydroxyethyl)-4-(2-methoxyethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26279359
N-(2-hydroxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 25293666
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847445
4-(ethylamino)-5-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294318
4-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 138002958
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 23772096
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 724915

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 26359352) is 4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(C)C(C)C)sc2ncnc(NCCC3=CCCCC3)c12.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WKKSESHQFIAIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-13(2)24(4)20(25)17-14(3)16-18(22-12-23-19(16)26-17)21-11-10-15-8-6-5-7-9-15/h8,12-13H,5-7,9-11H2,1-4H3,(H,21,22,23).
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26359352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).