1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea

C17H36N6O2 — CID 140900536

IUPAC1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea
SMILESCOC1CCC(NC(=O)NC2NC(C)CC(NCCN(C)C)N2)CC1
InChIInChI=1S/C17H36N6O2/c1-12-11-15(18-9-10-23(2)3)21-16(19-12)22-17(24)20-13-5-7-14(25-4)8-6-13/h12-16,18-19,21H,5-11H2,1-4H3,(H2,20,22,24)
InChIKeyLKJMYRYLNJSLPL-UHFFFAOYSA-N
MW356.52 g/mol
LogP-0.02
Rot. Bonds7

About 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea

1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea (PubChem CID 140900536) has the molecular formula C17H36N6O2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea
PubChem CID140900536
Molecular FormulaC17H36N6O2
Molecular Weight356.52 g/mol
Exact Mass356.29
IUPAC Name1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea
SMILESCOC1CCC(NC(=O)NC2NC(C)CC(NCCN(C)C)N2)CC1
InChIInChI=1S/C17H36N6O2/c1-12-11-15(18-9-10-23(2)3)21-16(19-12)22-17(24)20-13-5-7-14(25-4)8-6-13/h12-16,18-19,21H,5-11H2,1-4H3,(H2,20,22,24)
InChIKeyLKJMYRYLNJSLPL-UHFFFAOYSA-N
XLogP-0.02
TPSA89.69 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 5-0.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)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

1-[4-(Ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900481
1-[4-[2-(Dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900494
1-[4-(3-Aminopropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900532
1-[4-[2-(Dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethoxy)cyclohexyl]urea
CID 140900562
1-[4-(2-Aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900567
1-[4-Methyl-6-[3-(methylamino)propylamino]-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900622
1-[4-Methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900632
N-dimethyl-N-[2-[[6-methyl-2-[[4-(trifluoromethoxy)cyclohexyl]carbamoylamino]-1,3-diazinan-4-yl]amino]ethyl]boronamidic acid
CID 140900639
N-[3-[[6-methyl-2-[[4-(trifluoromethoxy)cyclohexyl]carbamoylamino]-1,3-diazinan-4-yl]amino]propyl]acetamide
CID 140900641
1-[4-[3-(Methylamino)propylamino]-6-propan-2-yl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 142295290
1-(4-Amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 142295293
1-[4-[3-(Dimethylamino)propylamino]-6-propan-2-yl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 142295347

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea?
The IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea (CID 140900536) is 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea is COC1CCC(NC(=O)NC2NC(C)CC(NCCN(C)C)N2)CC1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea?
The InChIKey is LKJMYRYLNJSLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N6O2/c1-12-11-15(18-9-10-23(2)3)21-16(19-12)22-17(24)20-13-5-7-14(25-4)8-6-13/h12-16,18-19,21H,5-11H2,1-4H3,(H2,20,22,24).
What are the key properties of 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea?
1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea has a molecular weight of 356.52 g/mol, XLogP of -0.02, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea is sourced from PubChem (CID 140900536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).