N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

C12H15N3O4S — CID 42589960

IUPACN-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESC[C@@H](O)CNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1
InChIInChI=1S/C12H15N3O4S/c1-6(16)5-13-9(17)8-4-7-10(18)14(2)12(19)15(3)11(7)20-8/h4,6,16H,5H2,1-3H3,(H,13,17)/t6-/m1/s1
InChIKeyLPXOOAMTYJFZGK-ZCFIWIBFSA-N
MW297.34 g/mol
LogP-0.59
Rot. Bonds3

About N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42589960) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42589960
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESC[C@@H](O)CNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1
InChIInChI=1S/C12H15N3O4S/c1-6(16)5-13-9(17)8-4-7-10(18)14(2)12(19)15(3)11(7)20-8/h4,6,16H,5H2,1-3H3,(H,13,17)/t6-/m1/s1
InChIKeyLPXOOAMTYJFZGK-ZCFIWIBFSA-N
XLogP-0.59
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 42590015
N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 53083095
7-butyl-N-[(2S)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42217438
N-[(2R)-2-hydroxypropyl]-4,5-dimethylthiophene-2-carboxamide
CID 83031116
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 53083114
1,3-dimethyl-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 53083092
1,3-dimethyl-N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 100891499
N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide
CID 53083028
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 83031783
1-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxypropyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78800112
1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120829599

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (CID 42589960) is N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is C[C@@H](O)CNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LPXOOAMTYJFZGK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-6(16)5-13-9(17)8-4-7-10(18)14(2)12(19)15(3)11(7)20-8/h4,6,16H,5H2,1-3H3,(H,13,17)/t6-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 297.34 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42589960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).