1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea

C11H21N3O2 — CID 46185757

IUPAC1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)NC[C@H]1CCC=CO1
InChIInChI=1S/C11H21N3O2/c1-14(2)7-6-12-11(15)13-9-10-5-3-4-8-16-10/h4,8,10H,3,5-7,9H2,1-2H3,(H2,12,13,15)/t10-/m1/s1
InChIKeyLIUVAEYWIQNPGF-SNVBAGLBSA-N
MW227.31 g/mol
LogP0.54
Rot. Bonds5

About 1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea

1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea (PubChem CID 46185757) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea
PubChem CID46185757
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)NC[C@H]1CCC=CO1
InChIInChI=1S/C11H21N3O2/c1-14(2)7-6-12-11(15)13-9-10-5-3-4-8-16-10/h4,8,10H,3,5-7,9H2,1-2H3,(H2,12,13,15)/t10-/m1/s1
InChIKeyLIUVAEYWIQNPGF-SNVBAGLBSA-N
XLogP0.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea (CID 46185757) is 1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea is CN(C)CCNC(=O)NC[C@H]1CCC=CO1.
What is the InChIKey of 1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is LIUVAEYWIQNPGF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-14(2)7-6-12-11(15)13-9-10-5-3-4-8-16-10/h4,8,10H,3,5-7,9H2,1-2H3,(H2,12,13,15)/t10-/m1/s1.
What are the key properties of 1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea?
1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 227.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 46185757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).