3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate

C12H16N4O2 — CID 19380187

IUPAC3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate
SMILESCC(=O)OCCCc1cnc2c(N)c(C)nn2c1
InChIInChI=1S/C12H16N4O2/c1-8-11(13)12-14-6-10(7-16(12)15-8)4-3-5-18-9(2)17/h6-7H,3-5,13H2,1-2H3
InChIKeyVZOGGKWNAUCIMJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.12
Rot. Bonds4

About 3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate

3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate (PubChem CID 19380187) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate.

Molecular Properties

Compound Name3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate
PubChem CID19380187
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate
SMILESCC(=O)OCCCc1cnc2c(N)c(C)nn2c1
InChIInChI=1S/C12H16N4O2/c1-8-11(13)12-14-6-10(7-16(12)15-8)4-3-5-18-9(2)17/h6-7H,3-5,13H2,1-2H3
InChIKeyVZOGGKWNAUCIMJ-UHFFFAOYSA-N
XLogP1.12
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
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 3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate?
The IUPAC name of 3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate (CID 19380187) is 3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate.
What is the SMILES notation for 3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate?
The canonical SMILES for 3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate is CC(=O)OCCCc1cnc2c(N)c(C)nn2c1.
What is the InChIKey of 3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate?
The InChIKey is VZOGGKWNAUCIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-11(13)12-14-6-10(7-16(12)15-8)4-3-5-18-9(2)17/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate?
3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate has a molecular weight of 248.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate is sourced from PubChem (CID 19380187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).