2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide

C11H15N5O2 — CID 39890766

IUPAC2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide
SMILESCc1c2ncn(CC(=O)N(C)C)c(=O)c2nn1C
InChIInChI=1S/C11H15N5O2/c1-7-9-10(13-15(7)4)11(18)16(6-12-9)5-8(17)14(2)3/h6H,5H2,1-4H3
InChIKeyFRRNECACLZVBLU-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.47
Rot. Bonds2

About 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide

2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide (PubChem CID 39890766) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide
PubChem CID39890766
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide
SMILESCc1c2ncn(CC(=O)N(C)C)c(=O)c2nn1C
InChIInChI=1S/C11H15N5O2/c1-7-9-10(13-15(7)4)11(18)16(6-12-9)5-8(17)14(2)3/h6H,5H2,1-4H3
InChIKeyFRRNECACLZVBLU-UHFFFAOYSA-N
XLogP-0.47
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide (CID 39890766) is 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide is Cc1c2ncn(CC(=O)N(C)C)c(=O)c2nn1C.
What is the InChIKey of 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide?
The InChIKey is FRRNECACLZVBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7-9-10(13-15(7)4)11(18)16(6-12-9)5-8(17)14(2)3/h6H,5H2,1-4H3.
What are the key properties of 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide?
2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide has a molecular weight of 249.27 g/mol, XLogP of -0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 39890766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).