3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea

C11H17N3O2 — CID 86793392

IUPAC3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCc1cc(C)nc(NC(=O)N(C)CCO)c1
InChIInChI=1S/C11H17N3O2/c1-8-6-9(2)12-10(7-8)13-11(16)14(3)4-5-15/h6-7,15H,4-5H2,1-3H3,(H,12,13,16)
InChIKeyOCTWZCRBXPBCHR-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.15
Rot. Bonds3

About 3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea

3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 86793392) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea
PubChem CID86793392
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCc1cc(C)nc(NC(=O)N(C)CCO)c1
InChIInChI=1S/C11H17N3O2/c1-8-6-9(2)12-10(7-8)13-11(16)14(3)4-5-15/h6-7,15H,4-5H2,1-3H3,(H,12,13,16)
InChIKeyOCTWZCRBXPBCHR-UHFFFAOYSA-N
XLogP1.15
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea (CID 86793392) is 3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea is Cc1cc(C)nc(NC(=O)N(C)CCO)c1.
What is the InChIKey of 3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is OCTWZCRBXPBCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-6-9(2)12-10(7-8)13-11(16)14(3)4-5-15/h6-7,15H,4-5H2,1-3H3,(H,12,13,16).
What are the key properties of 3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea?
3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 223.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-pyridinyl)-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 86793392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).