2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide

C14H19N5O2S — CID 136665365

IUPAC2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
SMILESCCc1nc(C)c(CC(=O)NCc2nnc(CC)s2)c(=O)[nH]1
InChIInChI=1S/C14H19N5O2S/c1-4-10-16-8(3)9(14(21)17-10)6-11(20)15-7-13-19-18-12(5-2)22-13/h4-7H2,1-3H3,(H,15,20)(H,16,17,21)
InChIKeyZOGFVHYPDJWGQF-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.91
Rot. Bonds6

About 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide

2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide (PubChem CID 136665365) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
PubChem CID136665365
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
SMILESCCc1nc(C)c(CC(=O)NCc2nnc(CC)s2)c(=O)[nH]1
InChIInChI=1S/C14H19N5O2S/c1-4-10-16-8(3)9(14(21)17-10)6-11(20)15-7-13-19-18-12(5-2)22-13/h4-7H2,1-3H3,(H,15,20)(H,16,17,21)
InChIKeyZOGFVHYPDJWGQF-UHFFFAOYSA-N
XLogP0.91
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70744303
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 136756324
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 135931982
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136665153
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
CID 136662139
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 135956418
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide
CID 110870149
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 135956419
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide
CID 136696882
2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide
CID 72866799
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
CID 167879268
2-[4-methyl-6-oxo-2-(trichloromethyl)-1H-pyrimidin-5-yl]acetohydrazide
CID 136837181

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide (CID 136665365) is 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide is CCc1nc(C)c(CC(=O)NCc2nnc(CC)s2)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
The InChIKey is ZOGFVHYPDJWGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-4-10-16-8(3)9(14(21)17-10)6-11(20)15-7-13-19-18-12(5-2)22-13/h4-7H2,1-3H3,(H,15,20)(H,16,17,21).
What are the key properties of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide has a molecular weight of 321.41 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 136665365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).