N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C11H13N3O4S — CID 65312350

IUPACN-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC(CO)CO)sc2nc[nH]c(=O)c12
InChIInChI=1S/C11H13N3O4S/c1-5-7-9(17)12-4-13-11(7)19-8(5)10(18)14-6(2-15)3-16/h4,6,15-16H,2-3H2,1H3,(H,14,18)(H,12,13,17)
InChIKeyQEESAOQHYNWIJA-UHFFFAOYSA-N
MW283.31 g/mol
LogP-0.62
Rot. Bonds4

About N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 65312350) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID65312350
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC(CO)CO)sc2nc[nH]c(=O)c12
InChIInChI=1S/C11H13N3O4S/c1-5-7-9(17)12-4-13-11(7)19-8(5)10(18)14-6(2-15)3-16/h4,6,15-16H,2-3H2,1H3,(H,14,18)(H,12,13,17)
InChIKeyQEESAOQHYNWIJA-UHFFFAOYSA-N
XLogP-0.62
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

(2S)-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164951
(2R)-3-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164923
4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 82032566
N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 64556977
2-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 39164975
methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate
CID 60628973
N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 92877004
5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 104620178
5-methyl-N-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 126476924
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
N-(3-hydroxy-4-methoxybutyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 106242685
5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 121499141

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 65312350) is N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC(CO)CO)sc2nc[nH]c(=O)c12.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QEESAOQHYNWIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-5-7-9(17)12-4-13-11(7)19-8(5)10(18)14-6(2-15)3-16/h4,6,15-16H,2-3H2,1H3,(H,14,18)(H,12,13,17).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 283.31 g/mol, XLogP of -0.62, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 65312350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).