3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide

C17H23N3O2S — CID 136865934

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide
SMILESCc1nc(C)c(CCC(=O)N[C@@H](c2cccs2)C(C)C)c(=O)[nH]1
InChIInChI=1S/C17H23N3O2S/c1-10(2)16(14-6-5-9-23-14)20-15(21)8-7-13-11(3)18-12(4)19-17(13)22/h5-6,9-10,16H,7-8H2,1-4H3,(H,20,21)(H,18,19,22)/t16-/m1/s1
InChIKeyXQQFTBHKZSZHBB-MRXNPFEDSA-N
MW333.46 g/mol
LogP2.89
Rot. Bonds6

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

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide (PubChem CID 136865934) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide
PubChem CID136865934
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide
SMILESCc1nc(C)c(CCC(=O)N[C@@H](c2cccs2)C(C)C)c(=O)[nH]1
InChIInChI=1S/C17H23N3O2S/c1-10(2)16(14-6-5-9-23-14)20-15(21)8-7-13-11(3)18-12(4)19-17(13)22/h5-6,9-10,16H,7-8H2,1-4H3,(H,20,21)(H,18,19,22)/t16-/m1/s1
InChIKeyXQQFTBHKZSZHBB-MRXNPFEDSA-N
XLogP2.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 135954015
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 135930618
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 135667488
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 135888063
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135925527
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 18198236
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 135587917
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 135676927
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 135956418
2,4-dimethyl-5-[3-oxo-3-(4-thiophen-2-ylpiperazin-1-yl)propyl]-1H-pyrimidin-6-one
CID 136514367
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135931467
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide (CID 136865934) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide is Cc1nc(C)c(CCC(=O)N[C@@H](c2cccs2)C(C)C)c(=O)[nH]1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide?
The InChIKey is XQQFTBHKZSZHBB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-10(2)16(14-6-5-9-23-14)20-15(21)8-7-13-11(3)18-12(4)19-17(13)22/h5-6,9-10,16H,7-8H2,1-4H3,(H,20,21)(H,18,19,22)/t16-/m1/s1.
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide has a molecular weight of 333.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide is sourced from PubChem (CID 136865934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).