1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea

C15H26ClF3N4O2 — CID 142295334

IUPAC1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
SMILESCC(C)C1CC(Cl)NC(NC(=O)NC2CCC(OC(F)(F)F)CC2)N1
InChIInChI=1S/C15H26ClF3N4O2/c1-8(2)11-7-12(16)22-13(21-11)23-14(24)20-9-3-5-10(6-4-9)25-15(17,18)19/h8-13,21-22H,3-7H2,1-2H3,(H2,20,23,24)
InChIKeyLMIGJHIKIPAZFO-UHFFFAOYSA-N
MW386.85 g/mol
LogP2.59
Rot. Bonds4

About 1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea

1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea (PubChem CID 142295334) has the molecular formula C15H26ClF3N4O2 and a molecular weight of 386.85 g/mol. Its IUPAC name is 1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
PubChem CID142295334
Molecular FormulaC15H26ClF3N4O2
Molecular Weight386.85 g/mol
Exact Mass386.17
IUPAC Name1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
SMILESCC(C)C1CC(Cl)NC(NC(=O)NC2CCC(OC(F)(F)F)CC2)N1
InChIInChI=1S/C15H26ClF3N4O2/c1-8(2)11-7-12(16)22-13(21-11)23-14(24)20-9-3-5-10(6-4-9)25-15(17,18)19/h8-13,21-22H,3-7H2,1-2H3,(H2,20,23,24)
InChIKeyLMIGJHIKIPAZFO-UHFFFAOYSA-N
XLogP2.59
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]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-Chloro-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900546
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-Chloro-6-methyl-1,3-diazinan-2-yl)-3-[3-methyl-4-(trifluoromethoxy)cyclohexyl]urea
CID 142295299
1-(4-Chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea;ethane
CID 142295333
1-[4-[3-(Dimethylamino)propylamino]-6-propan-2-yl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 142295347
1-(4-Chloro-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 142295405
1-[4-Cyclopropyl-6-[3-(methylamino)propylamino]-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 142295411
1-[4-Methyl-6-(methylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 142295428
1-[3-Chloro-4-(trifluoromethoxy)cyclohexyl]-3-[4-[3-(dimethylamino)propylamino]-6-methyl-1,3-diazinan-2-yl]urea
CID 147458791
1-(4-Amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 152797378
1-[4-(Hydroxyamino)-6-propan-2-yl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 152888749

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea?
The IUPAC name of 1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea (CID 142295334) is 1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea.
What is the SMILES notation for 1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea?
The canonical SMILES for 1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea is CC(C)C1CC(Cl)NC(NC(=O)NC2CCC(OC(F)(F)F)CC2)N1.
What is the InChIKey of 1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea?
The InChIKey is LMIGJHIKIPAZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClF3N4O2/c1-8(2)11-7-12(16)22-13(21-11)23-14(24)20-9-3-5-10(6-4-9)25-15(17,18)19/h8-13,21-22H,3-7H2,1-2H3,(H2,20,23,24).
What are the key properties of 1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea?
1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea has a molecular weight of 386.85 g/mol, XLogP of 2.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea is sourced from PubChem (CID 142295334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).