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

C15H28F3N5O2 — CID 152797378

IUPAC1-(4-amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
SMILESCC(C)C1CC(N)NC(NC(=O)NC2CCC(OC(F)(F)F)CC2)N1
InChIInChI=1S/C15H28F3N5O2/c1-8(2)11-7-12(19)22-13(21-11)23-14(24)20-9-3-5-10(6-4-9)25-15(16,17)18/h8-13,21-22H,3-7,19H2,1-2H3,(H2,20,23,24)
InChIKeyNGRSIHXQGVLADH-UHFFFAOYSA-N
MW367.42 g/mol
LogP1.31
Rot. Bonds4

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

1-(4-amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea (PubChem CID 152797378) has the molecular formula C15H28F3N5O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-(4-amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
PubChem CID152797378
Molecular FormulaC15H28F3N5O2
Molecular Weight367.42 g/mol
Exact Mass367.22
IUPAC Name1-(4-amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
SMILESCC(C)C1CC(N)NC(NC(=O)NC2CCC(OC(F)(F)F)CC2)N1
InChIInChI=1S/C15H28F3N5O2/c1-8(2)11-7-12(19)22-13(21-11)23-14(24)20-9-3-5-10(6-4-9)25-15(16,17)18/h8-13,21-22H,3-7,19H2,1-2H3,(H2,20,23,24)
InChIKeyNGRSIHXQGVLADH-UHFFFAOYSA-N
XLogP1.31
TPSA100.44 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 51.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea?
The IUPAC name of 1-(4-amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea (CID 152797378) is 1-(4-amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea.
What is the SMILES notation for 1-(4-amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea?
The canonical SMILES for 1-(4-amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea is CC(C)C1CC(N)NC(NC(=O)NC2CCC(OC(F)(F)F)CC2)N1.
What is the InChIKey of 1-(4-amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea?
The InChIKey is NGRSIHXQGVLADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N5O2/c1-8(2)11-7-12(19)22-13(21-11)23-14(24)20-9-3-5-10(6-4-9)25-15(16,17)18/h8-13,21-22H,3-7,19H2,1-2H3,(H2,20,23,24).
What are the key properties of 1-(4-amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea?
1-(4-amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea has a molecular weight of 367.42 g/mol, XLogP of 1.31, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-propan-2-yl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea is sourced from PubChem (CID 152797378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).