3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide

C17H19N3O3S — CID 95116969

IUPAC3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCCC[C@@H](NC(=O)c1c(C)oc2ncn(C)c(=O)c12)c1cccs1
InChIInChI=1S/C17H19N3O3S/c1-4-6-11(12-7-5-8-24-12)19-15(21)13-10(2)23-16-14(13)17(22)20(3)9-18-16/h5,7-9,11H,4,6H2,1-3H3,(H,19,21)/t11-/m1/s1
InChIKeyOFGHJBFLPFISRO-LLVKDONJSA-N
MW345.42 g/mol
LogP3.17
Rot. Bonds5

About 3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide

3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 95116969) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID95116969
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCCC[C@@H](NC(=O)c1c(C)oc2ncn(C)c(=O)c12)c1cccs1
InChIInChI=1S/C17H19N3O3S/c1-4-6-11(12-7-5-8-24-12)19-15(21)13-10(2)23-16-14(13)17(22)20(3)9-18-16/h5,7-9,11H,4,6H2,1-3H3,(H,19,21)/t11-/m1/s1
InChIKeyOFGHJBFLPFISRO-LLVKDONJSA-N
XLogP3.17
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid
CID 119223894
N-[cyclohexyl(phenyl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55690015
ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 8652686
11-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 98129973
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide
CID 125439641
N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 71034289
4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide
CID 178026796
3,6-dimethyl-4-oxo-N-[1-(1-tricyclo[5.3.1.03,9]undecanyl)propan-2-yl]furo[2,3-d]pyrimidine-5-carboxamide
CID 71034316
5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide
CID 61380869
2-fluoro-6-hydroxy-N-(1-thiophen-2-ylbutyl)benzamide
CID 104917044
6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 66464915
3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91949897

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide (CID 95116969) is 3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide is CCC[C@@H](NC(=O)c1c(C)oc2ncn(C)c(=O)c12)c1cccs1.
What is the InChIKey of 3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is OFGHJBFLPFISRO-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-4-6-11(12-7-5-8-24-12)19-15(21)13-10(2)23-16-14(13)17(22)20(3)9-18-16/h5,7-9,11H,4,6H2,1-3H3,(H,19,21)/t11-/m1/s1.
What are the key properties of 3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide?
3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 95116969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).