2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine

C19H19F3N4 — CID 10668485

IUPAC2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3cccc(C(F)(F)F)c3)cc2n1
InChIInChI=1S/C19H19F3N4/c1-12-23-16-11-15(13-6-5-7-14(10-13)19(20,21)22)25-17(16)18(24-12)26-8-3-2-4-9-26/h5-7,10-11,25H,2-4,8-9H2,1H3
InChIKeyAJRREJQBCRRFPZ-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.94
Rot. Bonds2

About 2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine

2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10668485) has the molecular formula C19H19F3N4 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10668485
Molecular FormulaC19H19F3N4
Molecular Weight360.38 g/mol
Exact Mass360.16
IUPAC Name2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3cccc(C(F)(F)F)c3)cc2n1
InChIInChI=1S/C19H19F3N4/c1-12-23-16-11-15(13-6-5-7-14(10-13)19(20,21)22)25-17(16)18(24-12)26-8-3-2-4-9-26/h5-7,10-11,25H,2-4,8-9H2,1H3
InChIKeyAJRREJQBCRRFPZ-UHFFFAOYSA-N
XLogP4.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine with MolForge

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Related Compounds

Toreforant
CID 23650961
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
PF-4708671
CID 51371303
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
L-790070
CID 9806182
Luf-5962
CID 11617054
Ralimetinib
CID 11539025
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
8-cyclohexyl-2,6-diphenyl-9H-purine
CID 11523232
8-isopropyl-2,6-diphenyl-9H-purine
CID 11536936
5,7-diphenyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine
CID 16109428

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine (CID 10668485) is 2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(N2CCCCC2)c2[nH]c(-c3cccc(C(F)(F)F)c3)cc2n1.
What is the InChIKey of 2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is AJRREJQBCRRFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4/c1-12-23-16-11-15(13-6-5-7-14(10-13)19(20,21)22)25-17(16)18(24-12)26-8-3-2-4-9-26/h5-7,10-11,25H,2-4,8-9H2,1H3.
What are the key properties of 2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 360.38 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-yl-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10668485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).