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

C18H20N4O — CID 10518886

IUPAC2-methoxy-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C18H20N4O/c1-23-18-20-15-12-14(13-8-4-2-5-9-13)19-16(15)17(21-18)22-10-6-3-7-11-22/h2,4-5,8-9,12,19H,3,6-7,10-11H2,1H3
InChIKeyUYFNURAGCJVGFZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.62
Rot. Bonds3

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

2-methoxy-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10518886) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-methoxy-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methoxy-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10518886
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-methoxy-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C18H20N4O/c1-23-18-20-15-12-14(13-8-4-2-5-9-13)19-16(15)17(21-18)22-10-6-3-7-11-22/h2,4-5,8-9,12,19H,3,6-7,10-11H2,1H3
InChIKeyUYFNURAGCJVGFZ-UHFFFAOYSA-N
XLogP3.62
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methoxy-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10518886) is 2-methoxy-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methoxy-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methoxy-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is COc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 2-methoxy-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is UYFNURAGCJVGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-23-18-20-15-12-14(13-8-4-2-5-9-13)19-16(15)17(21-18)22-10-6-3-7-11-22/h2,4-5,8-9,12,19H,3,6-7,10-11H2,1H3.
What are the key properties of 2-methoxy-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
2-methoxy-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 308.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10518886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).