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

C16H30F3N5O — CID 140900550

IUPAC1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCCCNC1CC(C)NC(NC(=O)NC2CCC(C(F)(F)F)CC2)N1
InChIInChI=1S/C16H30F3N5O/c1-3-8-20-13-9-10(2)21-14(23-13)24-15(25)22-12-6-4-11(5-7-12)16(17,18)19/h10-14,20-21,23H,3-9H2,1-2H3,(H2,22,24,25)
InChIKeyAGGWZNRGLCLXPB-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.99
Rot. Bonds5

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

1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 140900550) has the molecular formula C16H30F3N5O and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID140900550
Molecular FormulaC16H30F3N5O
Molecular Weight365.44 g/mol
Exact Mass365.24
IUPAC Name1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCCCNC1CC(C)NC(NC(=O)NC2CCC(C(F)(F)F)CC2)N1
InChIInChI=1S/C16H30F3N5O/c1-3-8-20-13-9-10(2)21-14(23-13)24-15(25)22-12-6-4-11(5-7-12)16(17,18)19/h10-14,20-21,23H,3-9H2,1-2H3,(H2,22,24,25)
InChIKeyAGGWZNRGLCLXPB-UHFFFAOYSA-N
XLogP1.99
TPSA77.22 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(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 18
CID 172430224
US20240262804, Example 52
CID 172430242
US20240262804, Example 55
CID 172430244
US20240262804, Example 66
CID 172430250
1-Methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 56827100
3-[4-(Difluoromethyl)cyclohexyl]-1,1-dimethylurea
CID 126794515
2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69466705
2-[1-(4-Fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69466706
N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69469604

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 140900550) is 1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea is CCCNC1CC(C)NC(NC(=O)NC2CCC(C(F)(F)F)CC2)N1.
What is the InChIKey of 1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is AGGWZNRGLCLXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3N5O/c1-3-8-20-13-9-10(2)21-14(23-13)24-15(25)22-12-6-4-11(5-7-12)16(17,18)19/h10-14,20-21,23H,3-9H2,1-2H3,(H2,22,24,25).
What are the key properties of 1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 365.44 g/mol, XLogP of 1.99, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 140900550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).