1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine

C14H17N5O3S — CID 15890365

IUPAC1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine
SMILESCOc1cc(C)nc(N/C(N)=N/S(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C14H17N5O3S/c1-9-4-6-11(7-5-9)23(20,21)19-13(15)18-14-16-10(2)8-12(17-14)22-3/h4-8H,1-3H3,(H3,15,16,17,18,19)
InChIKeyIMYNXLISKBVSNI-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.22
Rot. Bonds4

About 1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine

1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine (PubChem CID 15890365) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine.

Molecular Properties

Compound Name1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine
PubChem CID15890365
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine
SMILESCOc1cc(C)nc(N/C(N)=N/S(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C14H17N5O3S/c1-9-4-6-11(7-5-9)23(20,21)19-13(15)18-14-16-10(2)8-12(17-14)22-3/h4-8H,1-3H3,(H3,15,16,17,18,19)
InChIKeyIMYNXLISKBVSNI-UHFFFAOYSA-N
XLogP1.22
TPSA119.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
CID 742828
N-[2-(4-Methoxy-6-methyl-pyrimidin-2-yloxy)-ethyl]-2,5-dimethyl-benzenesulfonamide
CID 648848
N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(prop-2-en-1-yl)benzenesulfonamide
CID 1118002
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 1212198
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 742822
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 658027
N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide
CID 1114632
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 649460
N'-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-methylbenzenesulfonohydrazide
CID 8195310
N-allyl-N-(4-methoxy-6-methyl-2-pyrimidinyl)-4-methylbenzenesulfonamide
CID 767952
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 1118003

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine?
The IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine (CID 15890365) is 1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine.
What is the SMILES notation for 1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine?
The canonical SMILES for 1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine is COc1cc(C)nc(N/C(N)=N/S(=O)(=O)c2ccc(C)cc2)n1.
What is the InChIKey of 1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine?
The InChIKey is IMYNXLISKBVSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-9-4-6-11(7-5-9)23(20,21)19-13(15)18-14-16-10(2)8-12(17-14)22-3/h4-8H,1-3H3,(H3,15,16,17,18,19).
What are the key properties of 1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine?
1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine has a molecular weight of 335.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-methylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine is sourced from PubChem (CID 15890365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).