2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

C14H17N5O4S — CID 137049092

IUPAC2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCS(=O)(=O)CC3)c2C)n1
InChIInChI=1S/C14H17N5O4S/c1-9-7-12(20)17-14(16-9)19-10(2)11(8-15-19)13(21)18-3-5-24(22,23)6-4-18/h7-8H,3-6H2,1-2H3,(H,16,17,20)
InChIKeyGJNMCNSARCQUJP-UHFFFAOYSA-N
MW351.39 g/mol
LogP-0.56
Rot. Bonds2

About 2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137049092) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137049092
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC Name2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCS(=O)(=O)CC3)c2C)n1
InChIInChI=1S/C14H17N5O4S/c1-9-7-12(20)17-14(16-9)19-10(2)11(8-15-19)13(21)18-3-5-24(22,23)6-4-18/h7-8H,3-6H2,1-2H3,(H,16,17,20)
InChIKeyGJNMCNSARCQUJP-UHFFFAOYSA-N
XLogP-0.56
TPSA118.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-(4-ethylpiperazine-1-carbonyl)-5-methyl-1H-py
CID 136245321
N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
CID 137049038
N-ethyl-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-propylpyrazole-4-carboxamide
CID 137049040
N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-propylpyrazole-4-carboxamide
CID 137049118
5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dipropylpyrazole-4-carboxamide
CID 137049119
N,N-diethyl-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
CID 137049219
6-Methyl-2-[5-methyl-4-(4-morpholinylcarbonyl)-1h-pyrazol-1-yl]-4(3h)-pyrimidinone
CID 137049221
N-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
CID 137049245
ethyl 4-[5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate
CID 136081198
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 45883697
N-[(2E)-2-ethenylpenta-2,4-dienyl]-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
CID 145286925
(Z)-3-(methylideneamino)-N-[[5-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)pyrazol-1-yl]methyl]but-2-enamide
CID 145287123

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 137049092) is 2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCS(=O)(=O)CC3)c2C)n1.
What is the InChIKey of 2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is GJNMCNSARCQUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c1-9-7-12(20)17-14(16-9)19-10(2)11(8-15-19)13(21)18-3-5-24(22,23)6-4-18/h7-8H,3-6H2,1-2H3,(H,16,17,20).
What are the key properties of 2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 351.39 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137049092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).