3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C12H16N4O — CID 70878914

IUPAC3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(N)cc(C3CCOCC3)nc12
InChIInChI=1S/C12H16N4O/c1-8-7-14-16-11(13)6-10(15-12(8)16)9-2-4-17-5-3-9/h6-7,9H,2-5,13H2,1H3
InChIKeyCCUVZTIOKJUPNI-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.51
Rot. Bonds1

About 3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70878914) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70878914
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(N)cc(C3CCOCC3)nc12
InChIInChI=1S/C12H16N4O/c1-8-7-14-16-11(13)6-10(15-12(8)16)9-2-4-17-5-3-9/h6-7,9H,2-5,13H2,1H3
InChIKeyCCUVZTIOKJUPNI-UHFFFAOYSA-N
XLogP1.51
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 70878914) is 3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cnn2c(N)cc(C3CCOCC3)nc12.
What is the InChIKey of 3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CCUVZTIOKJUPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-7-14-16-11(13)6-10(15-12(8)16)9-2-4-17-5-3-9/h6-7,9H,2-5,13H2,1H3.
What are the key properties of 3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 232.29 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70878914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).