azane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine

C20H20F3N5 — CID 174863958

IUPACazane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine
SMILESFC(F)(F)c1cccc(-c2ccc(C3CC3NCc3cncnc3)cn2)c1.N
InChIInChI=1S/C20H17F3N4.H3N/c21-20(22,23)16-3-1-2-14(6-16)18-5-4-15(11-27-18)17-7-19(17)26-10-13-8-24-12-25-9-13;/h1-6,8-9,11-12,17,19,26H,7,10H2;1H3
InChIKeyKGAWPGOJWUGROE-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.37
Rot. Bonds5

About azane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine

azane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine (PubChem CID 174863958) has the molecular formula C20H20F3N5 and a molecular weight of 387.41 g/mol. Its IUPAC name is azane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine.

Molecular Properties

Compound Nameazane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine
PubChem CID174863958
Molecular FormulaC20H20F3N5
Molecular Weight387.41 g/mol
Exact Mass387.17
IUPAC Nameazane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine
SMILESFC(F)(F)c1cccc(-c2ccc(C3CC3NCc3cncnc3)cn2)c1.N
InChIInChI=1S/C20H17F3N4.H3N/c21-20(22,23)16-3-1-2-14(6-16)18-5-4-15(11-27-18)17-7-19(17)26-10-13-8-24-12-25-9-13;/h1-6,8-9,11-12,17,19,26H,7,10H2;1H3
InChIKeyKGAWPGOJWUGROE-UHFFFAOYSA-N
XLogP4.37
TPSA85.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze azane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,2R)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropyl]carbamate
CID 90395361
piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 130453609
5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 56888384
2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
CID 58432818
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethanone
CID 90654159
1-(4-methylpiperazin-1-yl)-2-[[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethanone
CID 67370210
1-(4-methylpiperazin-1-yl)-2-[[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethanone
CID 67370211
3-[4-[(1S,2R)-2-[(2-aminopyrimidin-5-yl)methylamino]cyclopropyl]phenyl]phenol
CID 66714940
trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine
CID 46868842
N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 66714168
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821

Frequently Asked Questions

What is the IUPAC name of azane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine?
The IUPAC name of azane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine (CID 174863958) is azane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine.
What is the SMILES notation for azane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine?
The canonical SMILES for azane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine is FC(F)(F)c1cccc(-c2ccc(C3CC3NCc3cncnc3)cn2)c1.N.
What is the InChIKey of azane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine?
The InChIKey is KGAWPGOJWUGROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4.H3N/c21-20(22,23)16-3-1-2-14(6-16)18-5-4-15(11-27-18)17-7-19(17)26-10-13-8-24-12-25-9-13;/h1-6,8-9,11-12,17,19,26H,7,10H2;1H3.
What are the key properties of azane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine?
azane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine has a molecular weight of 387.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-(pyrimidin-5-ylmethyl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropan-1-amine is sourced from PubChem (CID 174863958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).