3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one

C12H11ClN6O — CID 63220162

IUPAC3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2nc(Cl)c3cnn(C)c3n2)cn1
InChIInChI=1S/C12H11ClN6O/c1-7-3-10(20)19(6-14-7)5-9-16-11(13)8-4-15-18(2)12(8)17-9/h3-4,6H,5H2,1-2H3
InChIKeyMBDKWIGMUIVMHO-UHFFFAOYSA-N
MW290.71 g/mol
LogP0.93
Rot. Bonds2

About 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one

3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one (PubChem CID 63220162) has the molecular formula C12H11ClN6O and a molecular weight of 290.71 g/mol. Its IUPAC name is 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one
PubChem CID63220162
Molecular FormulaC12H11ClN6O
Molecular Weight290.71 g/mol
Exact Mass290.07
IUPAC Name3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2nc(Cl)c3cnn(C)c3n2)cn1
InChIInChI=1S/C12H11ClN6O/c1-7-3-10(20)19(6-14-7)5-9-16-11(13)8-4-15-18(2)12(8)17-9/h3-4,6H,5H2,1-2H3
InChIKeyMBDKWIGMUIVMHO-UHFFFAOYSA-N
XLogP0.93
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one (CID 63220162) is 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(Cc2nc(Cl)c3cnn(C)c3n2)cn1.
What is the InChIKey of 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one?
The InChIKey is MBDKWIGMUIVMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6O/c1-7-3-10(20)19(6-14-7)5-9-16-11(13)8-4-15-18(2)12(8)17-9/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one?
3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one has a molecular weight of 290.71 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 63220162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).