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

C11H14N4O — CID 117103188

IUPAC3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2c(C3CCCOC3)cnn12
InChIInChI=1S/C11H14N4O/c12-10-3-4-13-11-9(6-14-15(10)11)8-2-1-5-16-7-8/h3-4,6,8H,1-2,5,7,12H2
InChIKeyQMBDQUMGURQXSD-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.21
Rot. Bonds1

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

3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 117103188) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID117103188
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2c(C3CCCOC3)cnn12
InChIInChI=1S/C11H14N4O/c12-10-3-4-13-11-9(6-14-15(10)11)8-2-1-5-16-7-8/h3-4,6,8H,1-2,5,7,12H2
InChIKeyQMBDQUMGURQXSD-UHFFFAOYSA-N
XLogP1.21
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103193
3-(oxan-3-yl)imidazo[1,5-a]pyridin-5-amine
CID 117141464
1-chloro-5-(oxan-3-yl)pyrazole
CID 175561958
3-[(1,1-dioxothian-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103217
8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 82383485
2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid
CID 115041986
1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 131697629
2-[(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)amino]ethanol
CID 15553288
5-(oxan-3-yl)-1H-pyrazol-4-amine
CID 154928122
5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63015423
3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103187
3-(4-bromofuran-3-yl)oxane
CID 82390776

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 117103188) is 3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1ccnc2c(C3CCCOC3)cnn12.
What is the InChIKey of 3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QMBDQUMGURQXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-10-3-4-13-11-9(6-14-15(10)11)8-2-1-5-16-7-8/h3-4,6,8H,1-2,5,7,12H2.
What are the key properties of 3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 218.26 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 117103188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).