4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol

C13H13N5O — CID 137284703

IUPAC4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol
SMILESCNc1ncnc2c1c(-c1ccc(O)cc1)nn2C
InChIInChI=1S/C13H13N5O/c1-14-12-10-11(8-3-5-9(19)6-4-8)17-18(2)13(10)16-7-15-12/h3-7,19H,1-2H3,(H,14,15,16)
InChIKeyASRUQCDGWHCYQS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.78
Rot. Bonds2

About 4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol

4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol (PubChem CID 137284703) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Name4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol
PubChem CID137284703
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol
SMILESCNc1ncnc2c1c(-c1ccc(O)cc1)nn2C
InChIInChI=1S/C13H13N5O/c1-14-12-10-11(8-3-5-9(19)6-4-8)17-18(2)13(10)16-7-15-12/h3-7,19H,1-2H3,(H,14,15,16)
InChIKeyASRUQCDGWHCYQS-UHFFFAOYSA-N
XLogP1.78
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol?
The IUPAC name of 4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol (CID 137284703) is 4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol.
What is the SMILES notation for 4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol?
The canonical SMILES for 4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol is CNc1ncnc2c1c(-c1ccc(O)cc1)nn2C.
What is the InChIKey of 4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol?
The InChIKey is ASRUQCDGWHCYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-14-12-10-11(8-3-5-9(19)6-4-8)17-18(2)13(10)16-7-15-12/h3-7,19H,1-2H3,(H,14,15,16).
What are the key properties of 4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol?
4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol has a molecular weight of 255.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenol is sourced from PubChem (CID 137284703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).