1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C12H19N5O2 — CID 135431264

IUPAC1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)OCCCNc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C12H19N5O2/c1-8(2)19-6-4-5-13-12-15-10-9(11(18)16-12)7-14-17(10)3/h7-8H,4-6H2,1-3H3,(H2,13,15,16,18)
InChIKeyLDVCAEPHVPEIRV-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.88
Rot. Bonds6

About 1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135431264) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135431264
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)OCCCNc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C12H19N5O2/c1-8(2)19-6-4-5-13-12-15-10-9(11(18)16-12)7-14-17(10)3/h7-8H,4-6H2,1-3H3,(H2,13,15,16,18)
InChIKeyLDVCAEPHVPEIRV-UHFFFAOYSA-N
XLogP0.88
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135431264) is 1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)OCCCNc1nc2c(cnn2C)c(=O)[nH]1.
What is the InChIKey of 1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LDVCAEPHVPEIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8(2)19-6-4-5-13-12-15-10-9(11(18)16-12)7-14-17(10)3/h7-8H,4-6H2,1-3H3,(H2,13,15,16,18).
What are the key properties of 1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 265.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(3-propan-2-yloxypropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135431264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).