1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea

C18H33ClN4O2 — CID 153299914

IUPAC1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea
SMILESCC1CC(Cl)NC(NC(=O)NC2CCCC(OC3CCCCC3)C2)N1
InChIInChI=1S/C18H33ClN4O2/c1-12-10-16(19)22-17(20-12)23-18(24)21-13-6-5-9-15(11-13)25-14-7-3-2-4-8-14/h12-17,20,22H,2-11H2,1H3,(H2,21,23,24)
InChIKeyYBAORPVHLCSVKK-UHFFFAOYSA-N
MW372.94 g/mol
LogP2.77
Rot. Bonds4

About 1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea

1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea (PubChem CID 153299914) has the molecular formula C18H33ClN4O2 and a molecular weight of 372.94 g/mol. Its IUPAC name is 1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea.

Molecular Properties

Compound Name1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea
PubChem CID153299914
Molecular FormulaC18H33ClN4O2
Molecular Weight372.94 g/mol
Exact Mass372.23
IUPAC Name1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea
SMILESCC1CC(Cl)NC(NC(=O)NC2CCCC(OC3CCCCC3)C2)N1
InChIInChI=1S/C18H33ClN4O2/c1-12-10-16(19)22-17(20-12)23-18(24)21-13-6-5-9-15(11-13)25-14-7-3-2-4-8-14/h12-17,20,22H,2-11H2,1H3,(H2,21,23,24)
InChIKeyYBAORPVHLCSVKK-UHFFFAOYSA-N
XLogP2.77
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 52.77
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-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)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-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea?
The IUPAC name of 1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea (CID 153299914) is 1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea.
What is the SMILES notation for 1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea?
The canonical SMILES for 1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea is CC1CC(Cl)NC(NC(=O)NC2CCCC(OC3CCCCC3)C2)N1.
What is the InChIKey of 1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea?
The InChIKey is YBAORPVHLCSVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33ClN4O2/c1-12-10-16(19)22-17(20-12)23-18(24)21-13-6-5-9-15(11-13)25-14-7-3-2-4-8-14/h12-17,20,22H,2-11H2,1H3,(H2,21,23,24).
What are the key properties of 1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea?
1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea has a molecular weight of 372.94 g/mol, XLogP of 2.77, 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-methyl-1,3-diazinan-2-yl)-3-(3-cyclohexyloxycyclohexyl)urea is sourced from PubChem (CID 153299914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).