1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea

C20H28N6O — CID 166712523

IUPAC1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea
SMILESCNCCNC1CC(C)=NC(NC(=O)Nc2ccc3ccccc3c2)N1C
InChIInChI=1S/C20H28N6O/c1-14-12-18(22-11-10-21-2)26(3)19(23-14)25-20(27)24-17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13,18-19,21-22H,10-12H2,1-3H3,(H2,24,25,27)
InChIKeyWJWGPFFJACTSNN-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.18
Rot. Bonds6

About 1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea

1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea (PubChem CID 166712523) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea
PubChem CID166712523
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea
SMILESCNCCNC1CC(C)=NC(NC(=O)Nc2ccc3ccccc3c2)N1C
InChIInChI=1S/C20H28N6O/c1-14-12-18(22-11-10-21-2)26(3)19(23-14)25-20(27)24-17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13,18-19,21-22H,10-12H2,1-3H3,(H2,24,25,27)
InChIKeyWJWGPFFJACTSNN-UHFFFAOYSA-N
XLogP2.18
TPSA80.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea 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

3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 166712554
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
1-[1,4-dimethyl-6-[2-(1-methylimidazolidin-2-yl)ethylamino]-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea
CID 166712525
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-[4-methyl-6-[4-(methylamino)butylamino]-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea
CID 134297686
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea
CID 134284700
tert-butyl (3S,4S)-4-(naphthalen-2-ylcarbamoylamino)-5-oxo-1-pentylpyrrolidine-3-carboxylate
CID 67795325
(3R,4R)-4-(naphthalen-2-ylcarbamoylamino)-5-oxo-1-pentylpyrrolidine-3-carboxylic acid
CID 67793475
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea
CID 164971950
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445

Frequently Asked Questions

What is the IUPAC name of 1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea (CID 166712523) is 1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea is CNCCNC1CC(C)=NC(NC(=O)Nc2ccc3ccccc3c2)N1C.
What is the InChIKey of 1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea?
The InChIKey is WJWGPFFJACTSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-14-12-18(22-11-10-21-2)26(3)19(23-14)25-20(27)24-17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13,18-19,21-22H,10-12H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea?
1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea has a molecular weight of 368.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,6-dimethyl-4-[2-(methylamino)ethylamino]-4,5-dihydro-2H-pyrimidin-2-yl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 166712523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).