1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea

C15H27F4N5O — CID 140900402

IUPAC1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea
SMILESCCNC1CC(C)NC(NC(=O)NC2CCC(F)C(C(F)(F)F)C2)N1
InChIInChI=1S/C15H27F4N5O/c1-3-20-12-6-8(2)21-13(23-12)24-14(25)22-9-4-5-11(16)10(7-9)15(17,18)19/h8-13,20-21,23H,3-7H2,1-2H3,(H2,22,24,25)
InChIKeyHZKOBRWNHMXYEB-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.55
Rot. Bonds4

About 1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea

1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 140900402) has the molecular formula C15H27F4N5O and a molecular weight of 369.41 g/mol. Its IUPAC name is 1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea
PubChem CID140900402
Molecular FormulaC15H27F4N5O
Molecular Weight369.41 g/mol
Exact Mass369.22
IUPAC Name1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea
SMILESCCNC1CC(C)NC(NC(=O)NC2CCC(F)C(C(F)(F)F)C2)N1
InChIInChI=1S/C15H27F4N5O/c1-3-20-12-6-8(2)21-13(23-12)24-14(25)22-9-4-5-11(16)10(7-9)15(17,18)19/h8-13,20-21,23H,3-7H2,1-2H3,(H2,22,24,25)
InChIKeyHZKOBRWNHMXYEB-UHFFFAOYSA-N
XLogP1.55
TPSA77.22 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea with MolForge

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Related Compounds

US20240262804, Example 14
CID 172430221
US20240262804, Example 15
CID 172430222
US20240262804, Example 16
CID 172430223
US20240262804, Example 52
CID 172430242
US20240262804, Example 66
CID 172430250
N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69469604
2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69469607
2-[1-(4,4-Difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69469624
N-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 77657955
1-Piperidin-4-yl-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 123276512
N'-piperidin-4-yl-N"-[3-(trifluoromethyl)cyclohexyl]methanetriamine
CID 132206545
1-[4-Fluoro-3-(trifluoromethyl)cyclohexyl]-3-[4-(2-imidazolidin-4-ylethylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900404

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea (CID 140900402) is 1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea is CCNC1CC(C)NC(NC(=O)NC2CCC(F)C(C(F)(F)F)C2)N1.
What is the InChIKey of 1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is HZKOBRWNHMXYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F4N5O/c1-3-20-12-6-8(2)21-13(23-12)24-14(25)22-9-4-5-11(16)10(7-9)15(17,18)19/h8-13,20-21,23H,3-7H2,1-2H3,(H2,22,24,25).
What are the key properties of 1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea?
1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 369.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 140900402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).