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

C8H12N4O2S — CID 67274342

IUPAC1-(6-amino-4-methylsulfinyl-2-pyridinyl)-3-methylurea
SMILESCNC(=O)Nc1cc(S(C)=O)cc(N)n1
InChIInChI=1S/C8H12N4O2S/c1-10-8(13)12-7-4-5(15(2)14)3-6(9)11-7/h3-4H,1-2H3,(H4,9,10,11,12,13)
InChIKeyYDYRHDJPLQLBQP-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.15
Rot. Bonds2

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

1-(6-amino-4-methylsulfinyl-2-pyridinyl)-3-methylurea (PubChem CID 67274342) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-(6-amino-4-methylsulfinyl-2-pyridinyl)-3-methylurea.

Molecular Properties

Compound Name1-(6-amino-4-methylsulfinyl-2-pyridinyl)-3-methylurea
PubChem CID67274342
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name1-(6-amino-4-methylsulfinyl-2-pyridinyl)-3-methylurea
SMILESCNC(=O)Nc1cc(S(C)=O)cc(N)n1
InChIInChI=1S/C8H12N4O2S/c1-10-8(13)12-7-4-5(15(2)14)3-6(9)11-7/h3-4H,1-2H3,(H4,9,10,11,12,13)
InChIKeyYDYRHDJPLQLBQP-UHFFFAOYSA-N
XLogP0.15
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-4-methylsulfinyl-2-pyridinyl)-3-methylurea?
The IUPAC name of 1-(6-amino-4-methylsulfinyl-2-pyridinyl)-3-methylurea (CID 67274342) is 1-(6-amino-4-methylsulfinyl-2-pyridinyl)-3-methylurea.
What is the SMILES notation for 1-(6-amino-4-methylsulfinyl-2-pyridinyl)-3-methylurea?
The canonical SMILES for 1-(6-amino-4-methylsulfinyl-2-pyridinyl)-3-methylurea is CNC(=O)Nc1cc(S(C)=O)cc(N)n1.
What is the InChIKey of 1-(6-amino-4-methylsulfinyl-2-pyridinyl)-3-methylurea?
The InChIKey is YDYRHDJPLQLBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-10-8(13)12-7-4-5(15(2)14)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-methylsulfinyl-2-pyridinyl)-3-methylurea?
1-(6-amino-4-methylsulfinyl-2-pyridinyl)-3-methylurea has a molecular weight of 228.28 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-4-methylsulfinyl-2-pyridinyl)-3-methylurea is sourced from PubChem (CID 67274342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).