4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one

C13H14N6O — CID 71943481

IUPAC4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(CNc2ncnc3[nH]ncc23)c(=O)[nH]1
InChIInChI=1S/C13H14N6O/c1-7-3-8(2)18-13(20)9(7)4-14-11-10-5-17-19-12(10)16-6-15-11/h3,5-6H,4H2,1-2H3,(H,18,20)(H2,14,15,16,17,19)
InChIKeyLVRBTJYKFRIOKD-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.27
Rot. Bonds3

About 4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one

4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one (PubChem CID 71943481) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one
PubChem CID71943481
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(CNc2ncnc3[nH]ncc23)c(=O)[nH]1
InChIInChI=1S/C13H14N6O/c1-7-3-8(2)18-13(20)9(7)4-14-11-10-5-17-19-12(10)16-6-15-11/h3,5-6H,4H2,1-2H3,(H,18,20)(H2,14,15,16,17,19)
InChIKeyLVRBTJYKFRIOKD-UHFFFAOYSA-N
XLogP1.27
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one (CID 71943481) is 4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one is Cc1cc(C)c(CNc2ncnc3[nH]ncc23)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one?
The InChIKey is LVRBTJYKFRIOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-7-3-8(2)18-13(20)9(7)4-14-11-10-5-17-19-12(10)16-6-15-11/h3,5-6H,4H2,1-2H3,(H,18,20)(H2,14,15,16,17,19).
What are the key properties of 4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one has a molecular weight of 270.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 71943481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).