1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea

C10H14N4O2 — CID 3059240

IUPAC1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea
SMILESCNC(=O)N(C)C(=O)NCc1ccccn1
InChIInChI=1S/C10H14N4O2/c1-11-9(15)14(2)10(16)13-7-8-5-3-4-6-12-8/h3-6H,7H2,1-2H3,(H,11,15)(H,13,16)
InChIKeyBMRFPTIDXRNSPQ-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.56
Rot. Bonds2

About 1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea

1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea (PubChem CID 3059240) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea
PubChem CID3059240
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea
SMILESCNC(=O)N(C)C(=O)NCc1ccccn1
InChIInChI=1S/C10H14N4O2/c1-11-9(15)14(2)10(16)13-7-8-5-3-4-6-12-8/h3-6H,7H2,1-2H3,(H,11,15)(H,13,16)
InChIKeyBMRFPTIDXRNSPQ-UHFFFAOYSA-N
XLogP0.56
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea?
The IUPAC name of 1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea (CID 3059240) is 1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea?
The canonical SMILES for 1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea is CNC(=O)N(C)C(=O)NCc1ccccn1.
What is the InChIKey of 1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea?
The InChIKey is BMRFPTIDXRNSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-11-9(15)14(2)10(16)13-7-8-5-3-4-6-12-8/h3-6H,7H2,1-2H3,(H,11,15)(H,13,16).
What are the key properties of 1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea?
1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea has a molecular weight of 222.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea is sourced from PubChem (CID 3059240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).