3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C12H16N4O — CID 117103216

IUPAC3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2c(CC3CCCCO3)cnn12
InChIInChI=1S/C12H16N4O/c13-11-4-5-14-12-9(8-15-16(11)12)7-10-3-1-2-6-17-10/h4-5,8,10H,1-3,6-7,13H2
InChIKeyABDAALQSMSEQTH-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.42
Rot. Bonds2

About 3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 117103216) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID117103216
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2c(CC3CCCCO3)cnn12
InChIInChI=1S/C12H16N4O/c13-11-4-5-14-12-9(8-15-16(11)12)7-10-3-1-2-6-17-10/h4-5,8,10H,1-3,6-7,13H2
InChIKeyABDAALQSMSEQTH-UHFFFAOYSA-N
XLogP1.42
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-Butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 130427713
2-Ethyl-5-(4-fluoropentyl)-9-piperidin-4-yl-6-oxa-9,12,16,17,20-pentazatricyclo[11.5.2.016,19]icosa-1(19),13(20),14,17-tetraene
CID 137061192
[1-(7-Aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoropropan-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
CID 157124804
[(2R)-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoropropan-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
CID 157986562
[(2S)-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoropropan-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
CID 161187513
3-(1-Ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 68750306
6-[5-(Methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69044125
6-(6-Methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69051630
3-(Oxolan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103195
1-(5-Pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-2-ol
CID 132094803
5-Methyl-8-oxa-11,14,18,19,22-pentazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraene
CID 137098426
3-Nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
CID 146245019

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 117103216) is 3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1ccnc2c(CC3CCCCO3)cnn12.
What is the InChIKey of 3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ABDAALQSMSEQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-11-4-5-14-12-9(8-15-16(11)12)7-10-3-1-2-6-17-10/h4-5,8,10H,1-3,6-7,13H2.
What are the key properties of 3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 232.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 117103216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).