N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide

C18H18FN5O2S — CID 136636840

IUPACN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)CSc2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN5O2S/c1-3-13-9-16(25)22-18(20-13)24-15(8-11(2)23-24)21-17(26)10-27-14-6-4-12(19)5-7-14/h4-9H,3,10H2,1-2H3,(H,21,26)(H,20,22,25)
InChIKeyHGGFYCBWAFEYMD-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.70
Rot. Bonds6

About N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 136636840) has the molecular formula C18H18FN5O2S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID136636840
Molecular FormulaC18H18FN5O2S
Molecular Weight387.44 g/mol
Exact Mass387.12
IUPAC NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)CSc2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN5O2S/c1-3-13-9-16(25)22-18(20-13)24-15(8-11(2)23-24)21-17(26)10-27-14-6-4-12(19)5-7-14/h4-9H,3,10H2,1-2H3,(H,21,26)(H,20,22,25)
InChIKeyHGGFYCBWAFEYMD-UHFFFAOYSA-N
XLogP2.70
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzylsulfanyl-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 135753119
2-(4-fluorophenyl)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135753272
2-(4-fluorophenyl)sulfanyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
CID 136604647
4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide
CID 135753051
4-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753227
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7228912
2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 135731875
2-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 135753087
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-(hydroxymethyl)benzamide
CID 156672559
2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135753266
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide
CID 135753066
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide
CID 135731872

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide (CID 136636840) is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)CSc2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is HGGFYCBWAFEYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2S/c1-3-13-9-16(25)22-18(20-13)24-15(8-11(2)23-24)21-17(26)10-27-14-6-4-12(19)5-7-14/h4-9H,3,10H2,1-2H3,(H,21,26)(H,20,22,25).
What are the key properties of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 387.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 136636840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).