1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea

C12H20N4O2 — CID 109399230

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NCc1cccc(N(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-9(8-17)14-12(18)13-7-10-5-4-6-11(15-10)16(2)3/h4-6,9,17H,7-8H2,1-3H3,(H2,13,14,18)
InChIKeyNWUIAWSZHZJHIR-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.33
Rot. Bonds5

About 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 109399230) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID109399230
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NCc1cccc(N(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-9(8-17)14-12(18)13-7-10-5-4-6-11(15-10)16(2)3/h4-6,9,17H,7-8H2,1-3H3,(H2,13,14,18)
InChIKeyNWUIAWSZHZJHIR-UHFFFAOYSA-N
XLogP0.33
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea (CID 109399230) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)NCc1cccc(N(C)C)n1.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is NWUIAWSZHZJHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(8-17)14-12(18)13-7-10-5-4-6-11(15-10)16(2)3/h4-6,9,17H,7-8H2,1-3H3,(H2,13,14,18).
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 252.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 109399230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).