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

C20H21F3N4 — CID 10645275

IUPAC2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(Cc3cccc(C(F)(F)F)c3)cc2n1
InChIInChI=1S/C20H21F3N4/c1-13-24-17-12-16(11-14-6-5-7-15(10-14)20(21,22)23)26-18(17)19(25-13)27-8-3-2-4-9-27/h5-7,10,12,26H,2-4,8-9,11H2,1H3
InChIKeyHGYVSIRUPADAOK-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.87
Rot. Bonds3

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

2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10645275) has the molecular formula C20H21F3N4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10645275
Molecular FormulaC20H21F3N4
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC Name2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(Cc3cccc(C(F)(F)F)c3)cc2n1
InChIInChI=1S/C20H21F3N4/c1-13-24-17-12-16(11-14-6-5-7-15(10-14)20(21,22)23)26-18(17)19(25-13)27-8-3-2-4-9-27/h5-7,10,12,26H,2-4,8-9,11H2,1H3
InChIKeyHGYVSIRUPADAOK-UHFFFAOYSA-N
XLogP4.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine (CID 10645275) is 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(N2CCCCC2)c2[nH]c(Cc3cccc(C(F)(F)F)c3)cc2n1.
What is the InChIKey of 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is HGYVSIRUPADAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4/c1-13-24-17-12-16(11-14-6-5-7-15(10-14)20(21,22)23)26-18(17)19(25-13)27-8-3-2-4-9-27/h5-7,10,12,26H,2-4,8-9,11H2,1H3.
What are the key properties of 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 374.41 g/mol, XLogP of 4.87, 3 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]methyl]-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10645275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).