1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea

C16H20N4O2 — CID 110911313

IUPAC1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCN(C)c1ccc(NC(=O)NCc2ccccc2CO)cn1
InChIInChI=1S/C16H20N4O2/c1-20(2)15-8-7-14(10-17-15)19-16(22)18-9-12-5-3-4-6-13(12)11-21/h3-8,10,21H,9,11H2,1-2H3,(H2,18,19,22)
InChIKeyDTOYAZHFIYJTQJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.96
Rot. Bonds5

About 1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea

1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 110911313) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
PubChem CID110911313
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCN(C)c1ccc(NC(=O)NCc2ccccc2CO)cn1
InChIInChI=1S/C16H20N4O2/c1-20(2)15-8-7-14(10-17-15)19-16(22)18-9-12-5-3-4-6-13(12)11-21/h3-8,10,21H,9,11H2,1-2H3,(H2,18,19,22)
InChIKeyDTOYAZHFIYJTQJ-UHFFFAOYSA-N
XLogP1.96
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (CID 110911313) is 1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is CN(C)c1ccc(NC(=O)NCc2ccccc2CO)cn1.
What is the InChIKey of 1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is DTOYAZHFIYJTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20(2)15-8-7-14(10-17-15)19-16(22)18-9-12-5-3-4-6-13(12)11-21/h3-8,10,21H,9,11H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 300.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 110911313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).