1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea

C18H32N4O — CID 71458113

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea
SMILES[2H]C([2H])([2H])c1cc(C)nc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)c1
InChIInChI=1S/C18H32N4O/c1-13(2)21(14(3)4)9-10-22(18(23)20(7)8)17-12-15(5)11-16(6)19-17/h11-14H,9-10H2,1-8H3/i5D3
InChIKeyGBZXIZORJXALPF-VPYROQPTSA-N
MW323.50 g/mol
LogP3.31
Rot. Bonds7

About 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea

1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea (PubChem CID 71458113) has the molecular formula C18H32N4O and a molecular weight of 323.50 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea
PubChem CID71458113
Molecular FormulaC18H32N4O
Molecular Weight323.50 g/mol
Exact Mass323.28
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea
SMILES[2H]C([2H])([2H])c1cc(C)nc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)c1
InChIInChI=1S/C18H32N4O/c1-13(2)21(14(3)4)9-10-22(18(23)20(7)8)17-12-15(5)11-16(6)19-17/h11-14H,9-10H2,1-8H3/i5D3
InChIKeyGBZXIZORJXALPF-VPYROQPTSA-N
XLogP3.31
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]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-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea (CID 71458113) is 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea is [2H]C([2H])([2H])c1cc(C)nc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)c1.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea?
The InChIKey is GBZXIZORJXALPF-VPYROQPTSA-N. The full InChI is InChI=1S/C18H32N4O/c1-13(2)21(14(3)4)9-10-22(18(23)20(7)8)17-12-15(5)11-16(6)19-17/h11-14H,9-10H2,1-8H3/i5D3.
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea?
1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea has a molecular weight of 323.50 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea is sourced from PubChem (CID 71458113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).