1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea

C10H14N4O2 — CID 3059241

IUPAC1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea
SMILESCNC(=O)N(C)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C10H14N4O2/c1-7-4-5-8(12-6-7)13-10(16)14(3)9(15)11-2/h4-6H,1-3H3,(H,11,15)(H,12,13,16)
InChIKeyMYCRKQCSXHETFU-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.19
Rot. Bonds1

About 1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea

1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea (PubChem CID 3059241) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea.

Molecular Properties

Compound Name1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea
PubChem CID3059241
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea
SMILESCNC(=O)N(C)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C10H14N4O2/c1-7-4-5-8(12-6-7)13-10(16)14(3)9(15)11-2/h4-6H,1-3H3,(H,11,15)(H,12,13,16)
InChIKeyMYCRKQCSXHETFU-UHFFFAOYSA-N
XLogP1.19
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.19
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-[(5-methyl-2-pyridinyl)carbamoyl]urea?
The IUPAC name of 1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea (CID 3059241) is 1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea.
What is the SMILES notation for 1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea?
The canonical SMILES for 1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea is CNC(=O)N(C)C(=O)Nc1ccc(C)cn1.
What is the InChIKey of 1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea?
The InChIKey is MYCRKQCSXHETFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7-4-5-8(12-6-7)13-10(16)14(3)9(15)11-2/h4-6H,1-3H3,(H,11,15)(H,12,13,16).
What are the key properties of 1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea?
1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea has a molecular weight of 222.25 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[(5-methyl-2-pyridinyl)carbamoyl]urea is sourced from PubChem (CID 3059241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).