1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide

C14H17N3O3S — CID 131894123

IUPAC1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H17N3O3S/c1-9(6-10-4-5-21-8-10)15-13(19)11-7-12(18)17(3)14(20)16(11)2/h4-5,7-9H,6H2,1-3H3,(H,15,19)
InChIKeyYBSBRXKQNUTRTK-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.51
Rot. Bonds4

About 1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide

1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide (PubChem CID 131894123) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide
PubChem CID131894123
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H17N3O3S/c1-9(6-10-4-5-21-8-10)15-13(19)11-7-12(18)17(3)14(20)16(11)2/h4-5,7-9H,6H2,1-3H3,(H,15,19)
InChIKeyYBSBRXKQNUTRTK-UHFFFAOYSA-N
XLogP0.51
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide
CID 55975353
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471843
3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61473727
2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62509065
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482
3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
CID 45199983
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
4-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62177548
5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide
CID 107375175

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide (CID 131894123) is 1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide is CC(Cc1ccsc1)NC(=O)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide?
The InChIKey is YBSBRXKQNUTRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9(6-10-4-5-21-8-10)15-13(19)11-7-12(18)17(3)14(20)16(11)2/h4-5,7-9H,6H2,1-3H3,(H,15,19).
What are the key properties of 1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide?
1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 131894123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).