3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide

C16H21N3O3S — CID 136846775

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
SMILESCc1nc(C)c(CCC(=O)NCC(C)(O)c2ccsc2)c(=O)[nH]1
InChIInChI=1S/C16H21N3O3S/c1-10-13(15(21)19-11(2)18-10)4-5-14(20)17-9-16(3,22)12-6-7-23-8-12/h6-8,22H,4-5,9H2,1-3H3,(H,17,20)(H,18,19,21)
InChIKeyZHJVPPGFAGMCIW-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.40
Rot. Bonds6

About 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide (PubChem CID 136846775) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
PubChem CID136846775
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
SMILESCc1nc(C)c(CCC(=O)NCC(C)(O)c2ccsc2)c(=O)[nH]1
InChIInChI=1S/C16H21N3O3S/c1-10-13(15(21)19-11(2)18-10)4-5-14(20)17-9-16(3,22)12-6-7-23-8-12/h6-8,22H,4-5,9H2,1-3H3,(H,17,20)(H,18,19,21)
InChIKeyZHJVPPGFAGMCIW-UHFFFAOYSA-N
XLogP1.40
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 135587917
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452290
4-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-oxobutanamide
CID 111452217
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide
CID 137003571
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111976782
3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxybutyl)propanamide
CID 136772476
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111519812
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 135676897
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide
CID 111451949

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide (CID 136846775) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide is Cc1nc(C)c(CCC(=O)NCC(C)(O)c2ccsc2)c(=O)[nH]1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide?
The InChIKey is ZHJVPPGFAGMCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10-13(15(21)19-11(2)18-10)4-5-14(20)17-9-16(3,22)12-6-7-23-8-12/h6-8,22H,4-5,9H2,1-3H3,(H,17,20)(H,18,19,21).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide has a molecular weight of 335.43 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide is sourced from PubChem (CID 136846775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).