3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine

C19H23F3N4 — CID 138042973

IUPAC3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine
SMILESFC(F)(F)c1nc(NC2CC(NC3CCCCC3)C2)c2ccccc2n1
InChIInChI=1S/C19H23F3N4/c20-19(21,22)18-25-16-9-5-4-8-15(16)17(26-18)24-14-10-13(11-14)23-12-6-2-1-3-7-12/h4-5,8-9,12-14,23H,1-3,6-7,10-11H2,(H,24,25,26)
InChIKeyNLNMRNRYMZXUKS-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.51
Rot. Bonds4

About 3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine

3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine (PubChem CID 138042973) has the molecular formula C19H23F3N4 and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine
PubChem CID138042973
Molecular FormulaC19H23F3N4
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC Name3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine
SMILESFC(F)(F)c1nc(NC2CC(NC3CCCCC3)C2)c2ccccc2n1
InChIInChI=1S/C19H23F3N4/c20-19(21,22)18-25-16-9-5-4-8-15(16)17(26-18)24-14-10-13(11-14)23-12-6-2-1-3-7-12/h4-5,8-9,12-14,23H,1-3,6-7,10-11H2,(H,24,25,26)
InChIKeyNLNMRNRYMZXUKS-UHFFFAOYSA-N
XLogP4.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide
CID 138042938
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916
4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
CID 163267198
[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
CID 1475464
N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-(trifluoromethyl)quinazolin-4-amine
CID 95609013
N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003381
4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
CID 163267105
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223
N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine
CID 75786779
N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine?
The IUPAC name of 3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine (CID 138042973) is 3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine.
What is the SMILES notation for 3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine?
The canonical SMILES for 3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine is FC(F)(F)c1nc(NC2CC(NC3CCCCC3)C2)c2ccccc2n1.
What is the InChIKey of 3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine?
The InChIKey is NLNMRNRYMZXUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4/c20-19(21,22)18-25-16-9-5-4-8-15(16)17(26-18)24-14-10-13(11-14)23-12-6-2-1-3-7-12/h4-5,8-9,12-14,23H,1-3,6-7,10-11H2,(H,24,25,26).
What are the key properties of 3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine?
3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine has a molecular weight of 364.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine is sourced from PubChem (CID 138042973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).