1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea

C15H17N3O — CID 6468993

IUPAC1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cc(C)cc(C)n2)c1
InChIInChI=1S/C15H17N3O/c1-10-5-4-6-13(8-10)17-15(19)18-14-9-11(2)7-12(3)16-14/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyPIZNSDUDDWGPBN-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.65
Rot. Bonds2

About 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea

1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea (PubChem CID 6468993) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea
PubChem CID6468993
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cc(C)cc(C)n2)c1
InChIInChI=1S/C15H17N3O/c1-10-5-4-6-13(8-10)17-15(19)18-14-9-11(2)7-12(3)16-14/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyPIZNSDUDDWGPBN-UHFFFAOYSA-N
XLogP3.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea (CID 6468993) is 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2cc(C)cc(C)n2)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea?
The InChIKey is PIZNSDUDDWGPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-5-4-6-13(8-10)17-15(19)18-14-9-11(2)7-12(3)16-14/h4-9H,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea?
1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea has a molecular weight of 255.32 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 6468993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).