1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea

C8H12N4O3S — CID 67274434

IUPAC1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea
SMILESCNC(=O)Nc1cc(S(C)(=O)=O)cc(N)n1
InChIInChI=1S/C8H12N4O3S/c1-10-8(13)12-7-4-5(16(2,14)15)3-6(9)11-7/h3-4H,1-2H3,(H4,9,10,11,12,13)
InChIKeyCITALYMBFSBUFZ-UHFFFAOYSA-N
MW244.28 g/mol
LogP-0.18
Rot. Bonds2

About 1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea

1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea (PubChem CID 67274434) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea.

Molecular Properties

Compound Name1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea
PubChem CID67274434
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea
SMILESCNC(=O)Nc1cc(S(C)(=O)=O)cc(N)n1
InChIInChI=1S/C8H12N4O3S/c1-10-8(13)12-7-4-5(16(2,14)15)3-6(9)11-7/h3-4H,1-2H3,(H4,9,10,11,12,13)
InChIKeyCITALYMBFSBUFZ-UHFFFAOYSA-N
XLogP-0.18
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,1'-Pyridine-2,6-diylbis(3-methylurea)
CID 661800
4-Methanesulfonylpyridin-2-amine
CID 99811201
N-(2-fluoro-ethyl)-4-methylsulfanyl-pyridine-2,6-diamine
CID 86630931
6-fluoro-N-(3-methylsulfonylpropyl)pyridin-2-amine
CID 61807499
N-(6-fluoro-2-pyridinyl)-2-methylsulfonylacetamide
CID 104820783
1-(6-Methyl-2-pyridinyl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea
CID 127266370
1-(5-methylsulfonyl-2-pyridinyl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea
CID 138025886
1-(4-methylsulfonyl-2-pyridinyl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea
CID 138025913
2-(benzenesulfonyl)-N-(6-methylpyridin-2-yl)acetamide
CID 2987868
1-Ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea
CID 18716841
[4-(4-Aminobenzenesulphonyl)-6-methyl-pyridin-2-yl]-methylamine
CID 19605448
1-[(6-Amino-4-methylsulfinyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
CID 20029995

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea?
The IUPAC name of 1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea (CID 67274434) is 1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea.
What is the SMILES notation for 1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea?
The canonical SMILES for 1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea is CNC(=O)Nc1cc(S(C)(=O)=O)cc(N)n1.
What is the InChIKey of 1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea?
The InChIKey is CITALYMBFSBUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-10-8(13)12-7-4-5(16(2,14)15)3-6(9)11-7/h3-4H,1-2H3,(H4,9,10,11,12,13).
What are the key properties of 1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea?
1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea has a molecular weight of 244.28 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-4-methylsulfonyl-2-pyridinyl)-3-methylurea is sourced from PubChem (CID 67274434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).