5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C13H18N4O — CID 162629207

IUPAC5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ccnn2c(NCC2(C)COC2)c1C
InChIInChI=1S/C13H18N4O/c1-9-10(2)16-11-4-5-15-17(11)12(9)14-6-13(3)7-18-8-13/h4-5,14H,6-8H2,1-3H3
InChIKeyLAPYOYBYCNLBCA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.79
Rot. Bonds3

About 5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162629207) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID162629207
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ccnn2c(NCC2(C)COC2)c1C
InChIInChI=1S/C13H18N4O/c1-9-10(2)16-11-4-5-15-17(11)12(9)14-6-13(3)7-18-8-13/h4-5,14H,6-8H2,1-3H3
InChIKeyLAPYOYBYCNLBCA-UHFFFAOYSA-N
XLogP1.79
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 162629207) is 5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ccnn2c(NCC2(C)COC2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LAPYOYBYCNLBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-10(2)16-11-4-5-15-17(11)12(9)14-6-13(3)7-18-8-13/h4-5,14H,6-8H2,1-3H3.
What are the key properties of 5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 246.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162629207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).