5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C16H18N6OS — CID 166386360

IUPAC5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(N)c(C(=O)NCc3n[nH]c4c3CCC4)sc2n1
InChIInChI=1S/C16H18N6OS/c1-7-12-13(17)14(24-16(12)20-8(2)19-7)15(23)18-6-11-9-4-3-5-10(9)21-22-11/h3-6,17H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyBVLPOWYRZIHGKF-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.03
Rot. Bonds3

About 5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 166386360) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID166386360
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(N)c(C(=O)NCc3n[nH]c4c3CCC4)sc2n1
InChIInChI=1S/C16H18N6OS/c1-7-12-13(17)14(24-16(12)20-8(2)19-7)15(23)18-6-11-9-4-3-5-10(9)21-22-11/h3-6,17H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyBVLPOWYRZIHGKF-UHFFFAOYSA-N
XLogP2.03
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

3-(4-methoxyphenyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50977161
4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide
CID 138036032
6-amino-N-[(4-methoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 1005644
6-(methylsulfamoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyridine-3-carboxamide
CID 122153605
3,5-dimethyl-4-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46985204
3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997927
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide
CID 166303387
3-amino-N-[2-(3-hydroxy-4-methylphenyl)ethyl]-8-propyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxamide
CID 170384113
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 154909937
2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide
CID 77082971

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 166386360) is 5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(N)c(C(=O)NCc3n[nH]c4c3CCC4)sc2n1.
What is the InChIKey of 5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BVLPOWYRZIHGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-7-12-13(17)14(24-16(12)20-8(2)19-7)15(23)18-6-11-9-4-3-5-10(9)21-22-11/h3-6,17H2,1-2H3,(H,18,23)(H,21,22).
What are the key properties of 5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166386360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).