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

C16H18N4O — CID 10519637

IUPAC6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3ccco3)cc2n1
InChIInChI=1S/C16H18N4O/c1-11-17-13-10-12(14-6-5-9-21-14)19-15(13)16(18-11)20-7-3-2-4-8-20/h5-6,9-10,19H,2-4,7-8H2,1H3
InChIKeyUSIKRIRUWWWZTM-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.52
Rot. Bonds2

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

6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10519637) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10519637
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3ccco3)cc2n1
InChIInChI=1S/C16H18N4O/c1-11-17-13-10-12(14-6-5-9-21-14)19-15(13)16(18-11)20-7-3-2-4-8-20/h5-6,9-10,19H,2-4,7-8H2,1H3
InChIKeyUSIKRIRUWWWZTM-UHFFFAOYSA-N
XLogP3.52
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10519637) is 6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(N2CCCCC2)c2[nH]c(-c3ccco3)cc2n1.
What is the InChIKey of 6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is USIKRIRUWWWZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-17-13-10-12(14-6-5-9-21-14)19-15(13)16(18-11)20-7-3-2-4-8-20/h5-6,9-10,19H,2-4,7-8H2,1H3.
What are the key properties of 6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 282.35 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10519637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).