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

C17H20N4O — CID 10040233

IUPAC2-methyl-6-(5-methylfuran-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3ccc(C)o3)cc2n1
InChIInChI=1S/C17H20N4O/c1-11-6-7-15(22-11)13-10-14-16(20-13)17(19-12(2)18-14)21-8-4-3-5-9-21/h6-7,10,20H,3-5,8-9H2,1-2H3
InChIKeyOMHLEGYLKYCYKO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.83
Rot. Bonds2

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

2-methyl-6-(5-methylfuran-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10040233) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-6-(5-methylfuran-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-6-(5-methylfuran-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10040233
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-methyl-6-(5-methylfuran-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3ccc(C)o3)cc2n1
InChIInChI=1S/C17H20N4O/c1-11-6-7-15(22-11)13-10-14-16(20-13)17(19-12(2)18-14)21-8-4-3-5-9-21/h6-7,10,20H,3-5,8-9H2,1-2H3
InChIKeyOMHLEGYLKYCYKO-UHFFFAOYSA-N
XLogP3.83
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5-methylfuran-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-6-(5-methylfuran-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10040233) is 2-methyl-6-(5-methylfuran-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-6-(5-methylfuran-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-6-(5-methylfuran-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(C)o3)cc2n1.
What is the InChIKey of 2-methyl-6-(5-methylfuran-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is OMHLEGYLKYCYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-6-7-15(22-11)13-10-14-16(20-13)17(19-12(2)18-14)21-8-4-3-5-9-21/h6-7,10,20H,3-5,8-9H2,1-2H3.
What are the key properties of 2-methyl-6-(5-methylfuran-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-6-(5-methylfuran-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 296.37 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5-methylfuran-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10040233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).