N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

C17H19N5O3S — CID 131924909

IUPACN-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCc1sc2nc(CCNC(=O)c3n[nH]c4c3COCC4)[nH]c(=O)c2c1C
InChIInChI=1S/C17H19N5O3S/c1-8-9(2)26-17-13(8)15(23)19-12(20-17)3-5-18-16(24)14-10-7-25-6-4-11(10)21-22-14/h3-7H2,1-2H3,(H,18,24)(H,21,22)(H,19,20,23)
InChIKeyDDLZCWISXMIIFF-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.37
Rot. Bonds4

About N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 131924909) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
PubChem CID131924909
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCc1sc2nc(CCNC(=O)c3n[nH]c4c3COCC4)[nH]c(=O)c2c1C
InChIInChI=1S/C17H19N5O3S/c1-8-9(2)26-17-13(8)15(23)19-12(20-17)3-5-18-16(24)14-10-7-25-6-4-11(10)21-22-14/h3-7H2,1-2H3,(H,18,24)(H,21,22)(H,19,20,23)
InChIKeyDDLZCWISXMIIFF-UHFFFAOYSA-N
XLogP1.37
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 118766728
N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 118768675
N-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]ethyl]acetamide
CID 39147164
2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 47000740
3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86845012
1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide
CID 131927568
5,6-dimethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 82726389
5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 63363808
2-[2-[(3-tert-butyl-1H-pyrazol-5-yl)methylamino]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 131946845
5-[[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)propanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110750
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]acetamide
CID 43090388
N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 131904469

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (CID 131924909) is N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is Cc1sc2nc(CCNC(=O)c3n[nH]c4c3COCC4)[nH]c(=O)c2c1C.
What is the InChIKey of N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The InChIKey is DDLZCWISXMIIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-8-9(2)26-17-13(8)15(23)19-12(20-17)3-5-18-16(24)14-10-7-25-6-4-11(10)21-22-14/h3-7H2,1-2H3,(H,18,24)(H,21,22)(H,19,20,23).
What are the key properties of N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 131924909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).