4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C6H7N5 — CID 23400554

IUPAC4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C6H7N5/c1-3-4-2-8-11-5(4)10-6(7)9-3/h2H,1H3,(H3,7,8,9,10,11)
InChIKeyKCFKVTWZWZZMEG-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.24
Rot. Bonds

About 4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine

4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 23400554) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID23400554
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C6H7N5/c1-3-4-2-8-11-5(4)10-6(7)9-3/h2H,1H3,(H3,7,8,9,10,11)
InChIKeyKCFKVTWZWZZMEG-UHFFFAOYSA-N
XLogP0.24
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 23400554) is 4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine is Cc1nc(N)nc2[nH]ncc12.
What is the InChIKey of 4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is KCFKVTWZWZZMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-3-4-2-8-11-5(4)10-6(7)9-3/h2H,1H3,(H3,7,8,9,10,11).
What are the key properties of 4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 149.16 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 23400554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).