3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea

C14H24N4O2 — CID 109399251

IUPAC3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESCN(CC(C)(C)O)C(=O)NCc1cccc(N(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-14(2,20)10-18(5)13(19)15-9-11-7-6-8-12(16-11)17(3)4/h6-8,20H,9-10H2,1-5H3,(H,15,19)
InChIKeyDDMIEYFXOCMUSC-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.06
Rot. Bonds5

About 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea

3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea (PubChem CID 109399251) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea.

Molecular Properties

Compound Name3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
PubChem CID109399251
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESCN(CC(C)(C)O)C(=O)NCc1cccc(N(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-14(2,20)10-18(5)13(19)15-9-11-7-6-8-12(16-11)17(3)4/h6-8,20H,9-10H2,1-5H3,(H,15,19)
InChIKeyDDMIEYFXOCMUSC-UHFFFAOYSA-N
XLogP1.06
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The IUPAC name of 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea (CID 109399251) is 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea.
What is the SMILES notation for 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The canonical SMILES for 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea is CN(CC(C)(C)O)C(=O)NCc1cccc(N(C)C)n1.
What is the InChIKey of 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The InChIKey is DDMIEYFXOCMUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,20)10-18(5)13(19)15-9-11-7-6-8-12(16-11)17(3)4/h6-8,20H,9-10H2,1-5H3,(H,15,19).
What are the key properties of 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea has a molecular weight of 280.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea is sourced from PubChem (CID 109399251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).