[3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine

C13H18N4O — CID 103315377

IUPAC[3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine
SMILESCc1c(C2CCC(C)O2)nn2c(CN)ccnc12
InChIInChI=1S/C13H18N4O/c1-8-3-4-11(18-8)12-9(2)13-15-6-5-10(7-14)17(13)16-12/h5-6,8,11H,3-4,7,14H2,1-2H3
InChIKeySZVXQSVBCUSHJU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.74
Rot. Bonds2

About [3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine

[3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine (PubChem CID 103315377) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine
PubChem CID103315377
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine
SMILESCc1c(C2CCC(C)O2)nn2c(CN)ccnc12
InChIInChI=1S/C13H18N4O/c1-8-3-4-11(18-8)12-9(2)13-15-6-5-10(7-14)17(13)16-12/h5-6,8,11H,3-4,7,14H2,1-2H3
InChIKeySZVXQSVBCUSHJU-UHFFFAOYSA-N
XLogP1.74
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine?
The IUPAC name of [3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine (CID 103315377) is [3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine.
What is the SMILES notation for [3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine?
The canonical SMILES for [3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine is Cc1c(C2CCC(C)O2)nn2c(CN)ccnc12.
What is the InChIKey of [3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine?
The InChIKey is SZVXQSVBCUSHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8-3-4-11(18-8)12-9(2)13-15-6-5-10(7-14)17(13)16-12/h5-6,8,11H,3-4,7,14H2,1-2H3.
What are the key properties of [3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine?
[3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine is sourced from PubChem (CID 103315377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).