N-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C15H22N4O — CID 92592728

IUPACN-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCNc1c(C)c(C)nc2cc(C3CCOCC3)nn12
InChIInChI=1S/C15H22N4O/c1-4-16-15-10(2)11(3)17-14-9-13(18-19(14)15)12-5-7-20-8-6-12/h9,12,16H,4-8H2,1-3H3
InChIKeyPRWWWHLKDYKODM-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.67
Rot. Bonds3

About N-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

N-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 92592728) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID92592728
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCNc1c(C)c(C)nc2cc(C3CCOCC3)nn12
InChIInChI=1S/C15H22N4O/c1-4-16-15-10(2)11(3)17-14-9-13(18-19(14)15)12-5-7-20-8-6-12/h9,12,16H,4-8H2,1-3H3
InChIKeyPRWWWHLKDYKODM-UHFFFAOYSA-N
XLogP2.67
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 92592728) is N-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCNc1c(C)c(C)nc2cc(C3CCOCC3)nn12.
What is the InChIKey of N-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PRWWWHLKDYKODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-16-15-10(2)11(3)17-14-9-13(18-19(14)15)12-5-7-20-8-6-12/h9,12,16H,4-8H2,1-3H3.
What are the key properties of N-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 274.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 92592728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).