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

C13H24F3N5O2 — CID 142295293

IUPAC1-(4-amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
SMILESCC1CC(N)NC(NC(=O)NC2CCC(OC(F)(F)F)CC2)N1
InChIInChI=1S/C13H24F3N5O2/c1-7-6-10(17)20-11(18-7)21-12(22)19-8-2-4-9(5-3-8)23-13(14,15)16/h7-11,18,20H,2-6,17H2,1H3,(H2,19,21,22)
InChIKeyASNHZXOGNZJSMC-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.67
Rot. Bonds3

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

1-(4-amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea (PubChem CID 142295293) has the molecular formula C13H24F3N5O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-(4-amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
PubChem CID142295293
Molecular FormulaC13H24F3N5O2
Molecular Weight339.36 g/mol
Exact Mass339.19
IUPAC Name1-(4-amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
SMILESCC1CC(N)NC(NC(=O)NC2CCC(OC(F)(F)F)CC2)N1
InChIInChI=1S/C13H24F3N5O2/c1-7-6-10(17)20-11(18-7)21-12(22)19-8-2-4-9(5-3-8)23-13(14,15)16/h7-11,18,20H,2-6,17H2,1H3,(H2,19,21,22)
InChIKeyASNHZXOGNZJSMC-UHFFFAOYSA-N
XLogP0.67
TPSA100.44 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-Acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 118348960
1-[4-(2-Hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900407
1-[4-(2-Aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethoxy)cyclohexyl]urea
CID 140900434
1-[4-(3-Aminopropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethoxy)cyclohexyl]urea
CID 140900462
1-[4-(Ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900481
3-[[6-Methyl-2-[[4-(trifluoromethoxy)cyclohexyl]carbamoylamino]-1,3-diazinan-4-yl]amino]propanamide
CID 140900491
1-[4-[2-(Dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900494
1-[4-(4-Aminobutylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethoxy)cyclohexyl]urea
CID 140900502
1-[4-(3-Aminopropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900532
1-(4-Chloro-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900546
1-[4-(2-Aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900567
1-[4-[(2,2-Difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900588

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea?
The IUPAC name of 1-(4-amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea (CID 142295293) is 1-(4-amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea.
What is the SMILES notation for 1-(4-amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea?
The canonical SMILES for 1-(4-amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea is CC1CC(N)NC(NC(=O)NC2CCC(OC(F)(F)F)CC2)N1.
What is the InChIKey of 1-(4-amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea?
The InChIKey is ASNHZXOGNZJSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N5O2/c1-7-6-10(17)20-11(18-7)21-12(22)19-8-2-4-9(5-3-8)23-13(14,15)16/h7-11,18,20H,2-6,17H2,1H3,(H2,19,21,22).
What are the key properties of 1-(4-amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea?
1-(4-amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea has a molecular weight of 339.36 g/mol, XLogP of 0.67, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea is sourced from PubChem (CID 142295293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).