6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol

C19H22N4O — CID 155540987

IUPAC6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCc1cccc(-n2cc3nc(N4CCC(C)CC4)ncc3c2O)c1
InChIInChI=1S/C19H22N4O/c1-13-6-8-22(9-7-13)19-20-11-16-17(21-19)12-23(18(16)24)15-5-3-4-14(2)10-15/h3-5,10-13,24H,6-9H2,1-2H3
InChIKeyUSHCKTJXZCWCBT-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.67
Rot. Bonds2

About 6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol

6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 155540987) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID155540987
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCc1cccc(-n2cc3nc(N4CCC(C)CC4)ncc3c2O)c1
InChIInChI=1S/C19H22N4O/c1-13-6-8-22(9-7-13)19-20-11-16-17(21-19)12-23(18(16)24)15-5-3-4-14(2)10-15/h3-5,10-13,24H,6-9H2,1-2H3
InChIKeyUSHCKTJXZCWCBT-UHFFFAOYSA-N
XLogP3.67
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol (CID 155540987) is 6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol is Cc1cccc(-n2cc3nc(N4CCC(C)CC4)ncc3c2O)c1.
What is the InChIKey of 6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is USHCKTJXZCWCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-6-8-22(9-7-13)19-20-11-16-17(21-19)12-23(18(16)24)15-5-3-4-14(2)10-15/h3-5,10-13,24H,6-9H2,1-2H3.
What are the key properties of 6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol?
6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 322.41 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 155540987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).