1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea

C12H18N4O — CID 167088575

IUPAC1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea
SMILESC=C(NC)N(C(=O)NC)c1c(C)ccnc1C
InChIInChI=1S/C12H18N4O/c1-8-6-7-15-9(2)11(8)16(10(3)13-4)12(17)14-5/h6-7,13H,3H2,1-2,4-5H3,(H,14,17)
InChIKeyVORBMRWBTCJPNG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.53
Rot. Bonds3

About 1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea

1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea (PubChem CID 167088575) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea
PubChem CID167088575
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea
SMILESC=C(NC)N(C(=O)NC)c1c(C)ccnc1C
InChIInChI=1S/C12H18N4O/c1-8-6-7-15-9(2)11(8)16(10(3)13-4)12(17)14-5/h6-7,13H,3H2,1-2,4-5H3,(H,14,17)
InChIKeyVORBMRWBTCJPNG-UHFFFAOYSA-N
XLogP1.53
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride
CID 167762348
1-(2,3-dimethyl-4-pyridinyl)-3-methylurea
CID 126993818
N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162
N-[1-(2,4-dimethyl-3-pyridinyl)ethenyl]methanimine
CID 146436926
1,3-dimethyl-1-pyrimidin-2-ylurea
CID 166732350
4-methyl-3-(methylamino)pyridine-2-carboxylic acid
CID 169147697
1-(2,4-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one;hydrate
CID 142909262
(2,4-dimethyl-3-pyridinyl)hydrazine
CID 130527071
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
3,4-dimethylpyridine-2-carboxamide;hydrochloride
CID 118095739
5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide
CID 170125715
3-(bromomethyl)-2,4-dimethylpyridine
CID 59589473

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea?
The IUPAC name of 1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea (CID 167088575) is 1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea.
What is the SMILES notation for 1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea?
The canonical SMILES for 1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea is C=C(NC)N(C(=O)NC)c1c(C)ccnc1C.
What is the InChIKey of 1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea?
The InChIKey is VORBMRWBTCJPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-6-7-15-9(2)11(8)16(10(3)13-4)12(17)14-5/h6-7,13H,3H2,1-2,4-5H3,(H,14,17).
What are the key properties of 1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea?
1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea has a molecular weight of 234.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-3-pyridinyl)-3-methyl-1-[1-(methylamino)ethenyl]urea is sourced from PubChem (CID 167088575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).