N-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide

C7H10N4OS — CID 59120458

IUPACN-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide
SMILESCSc1nccc(C(=O)N(C)N)n1
InChIInChI=1S/C7H10N4OS/c1-11(8)6(12)5-3-4-9-7(10-5)13-2/h3-4H,8H2,1-2H3
InChIKeyDMAQAGRSYNQKJF-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.14
Rot. Bonds2

About N-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide

N-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide (PubChem CID 59120458) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is N-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide.

Molecular Properties

Compound NameN-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide
PubChem CID59120458
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC NameN-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide
SMILESCSc1nccc(C(=O)N(C)N)n1
InChIInChI=1S/C7H10N4OS/c1-11(8)6(12)5-3-4-9-7(10-5)13-2/h3-4H,8H2,1-2H3
InChIKeyDMAQAGRSYNQKJF-UHFFFAOYSA-N
XLogP0.14
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

potassium 2-methylsulfanylpyrimidine-4-carboxylate
CID 24820258
(E)-3-(dimethylamino)-1-(2-methylsulfanylpyrimidin-4-yl)prop-2-en-1-one;ethane
CID 91447435
N-methylpyridine-2-carbohydrazide
CID 45084309
4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid
CID 23449886
(E)-3-(dimethylamino)-1-(4-fluorophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)prop-2-en-1-one
CID 67073760
1-(2-methylsulfanylpyrimidin-4-yl)propan-2-one
CID 59606606
(Z)-1-(4-chloro-3-methoxyphenyl)-3-(dimethylamino)-2-(2-methylsulfanylpyrimidin-4-yl)prop-2-en-1-one
CID 58641656
1-(2-methylsulfanylpyrimidin-4-yl)ethanol
CID 59892248
(2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride
CID 170918737
tert-butyl N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]carbamate
CID 140802489
3,3-dimethyl-1-(2-methylsulfanylpyrimidin-4-yl)butan-2-one
CID 119084151
1-[4-(dimethylamino)-2-(2-methylsulfanylpyrimidine-4-carbonyl)pyrazolidin-1-yl]-2-(4-fluorophenyl)ethanone;methane
CID 142223439

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide?
The IUPAC name of N-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide (CID 59120458) is N-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide.
What is the SMILES notation for N-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide?
The canonical SMILES for N-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide is CSc1nccc(C(=O)N(C)N)n1.
What is the InChIKey of N-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide?
The InChIKey is DMAQAGRSYNQKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c1-11(8)6(12)5-3-4-9-7(10-5)13-2/h3-4H,8H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide?
N-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide has a molecular weight of 198.25 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide is sourced from PubChem (CID 59120458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).