N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C13H15N3O4S — CID 106102834

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC2(O)CCOC2)sc2nc[nH]c(=O)c12
InChIInChI=1S/C13H15N3O4S/c1-7-8-10(17)15-6-16-12(8)21-9(7)11(18)14-4-13(19)2-3-20-5-13/h6,19H,2-5H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyIQXMHPGWILBZLN-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.17
Rot. Bonds3

About N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 106102834) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID106102834
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC2(O)CCOC2)sc2nc[nH]c(=O)c12
InChIInChI=1S/C13H15N3O4S/c1-7-8-10(17)15-6-16-12(8)21-9(7)11(18)14-4-13(19)2-3-20-5-13/h6,19H,2-5H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyIQXMHPGWILBZLN-UHFFFAOYSA-N
XLogP0.17
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 106102834) is N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCC2(O)CCOC2)sc2nc[nH]c(=O)c12.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IQXMHPGWILBZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-7-8-10(17)15-6-16-12(8)21-9(7)11(18)14-4-13(19)2-3-20-5-13/h6,19H,2-5H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 106102834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).