2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H21N5O3 — CID 118770784

IUPAC2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NCCN3CCCOC3=O)c2n1
InChIInChI=1S/C16H21N5O3/c1-10-9-11(2)21-14(18-10)13(12(3)19-21)15(22)17-5-7-20-6-4-8-24-16(20)23/h9H,4-8H2,1-3H3,(H,17,22)
InChIKeyKDEHSBIOTUXJGO-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.23
Rot. Bonds4

About 2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118770784) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID118770784
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NCCN3CCCOC3=O)c2n1
InChIInChI=1S/C16H21N5O3/c1-10-9-11(2)21-14(18-10)13(12(3)19-21)15(22)17-5-7-20-6-4-8-24-16(20)23/h9H,4-8H2,1-3H3,(H,17,22)
InChIKeyKDEHSBIOTUXJGO-UHFFFAOYSA-N
XLogP1.23
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118770784) is 2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2nc(C)c(C(=O)NCCN3CCCOC3=O)c2n1.
What is the InChIKey of 2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KDEHSBIOTUXJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10-9-11(2)21-14(18-10)13(12(3)19-21)15(22)17-5-7-20-6-4-8-24-16(20)23/h9H,4-8H2,1-3H3,(H,17,22).
What are the key properties of 2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118770784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).