5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C15H17N5O2 — CID 136542470

IUPAC5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1nc(C)cc(C)c1Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C15H17N5O2/c1-9-5-10(2)18-14(22-4)12(9)7-20-8-16-13-11(15(20)21)6-17-19(13)3/h5-6,8H,7H2,1-4H3
InChIKeyDUYLZVPMUCSBHZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.20
Rot. Bonds3

About 5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136542470) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136542470
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1nc(C)cc(C)c1Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C15H17N5O2/c1-9-5-10(2)18-14(22-4)12(9)7-20-8-16-13-11(15(20)21)6-17-19(13)3/h5-6,8H,7H2,1-4H3
InChIKeyDUYLZVPMUCSBHZ-UHFFFAOYSA-N
XLogP1.20
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 136542470) is 5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is COc1nc(C)cc(C)c1Cn1cnc2c(cnn2C)c1=O.
What is the InChIKey of 5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DUYLZVPMUCSBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9-5-10(2)18-14(22-4)12(9)7-20-8-16-13-11(15(20)21)6-17-19(13)3/h5-6,8H,7H2,1-4H3.
What are the key properties of 5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 299.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136542470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).