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

C18H17F3N4 — CID 10833804

IUPAC6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESFC(F)(F)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C18H17F3N4/c19-18(20,21)17-23-14-11-13(12-7-3-1-4-8-12)22-15(14)16(24-17)25-9-5-2-6-10-25/h1,3-4,7-8,11,22H,2,5-6,9-10H2
InChIKeyNBHPNSCLYKSKNV-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.63
Rot. Bonds2

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

6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10833804) has the molecular formula C18H17F3N4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10833804
Molecular FormulaC18H17F3N4
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESFC(F)(F)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C18H17F3N4/c19-18(20,21)17-23-14-11-13(12-7-3-1-4-8-12)22-15(14)16(24-17)25-9-5-2-6-10-25/h1,3-4,7-8,11,22H,2,5-6,9-10H2
InChIKeyNBHPNSCLYKSKNV-UHFFFAOYSA-N
XLogP4.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine (CID 10833804) is 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine is FC(F)(F)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is NBHPNSCLYKSKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4/c19-18(20,21)17-23-14-11-13(12-7-3-1-4-8-12)22-15(14)16(24-17)25-9-5-2-6-10-25/h1,3-4,7-8,11,22H,2,5-6,9-10H2.
What are the key properties of 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine?
6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 346.36 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10833804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).