3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine

C12H16N4O — CID 117103446

IUPAC3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine
SMILESNc1cnc2c(CC3CCCOC3)cnn2c1
InChIInChI=1S/C12H16N4O/c13-11-6-14-12-10(5-15-16(12)7-11)4-9-2-1-3-17-8-9/h5-7,9H,1-4,8,13H2
InChIKeyYZLOSHMQCRBIQE-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.28
Rot. Bonds2

About 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine

3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine (PubChem CID 117103446) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine
PubChem CID117103446
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine
SMILESNc1cnc2c(CC3CCCOC3)cnn2c1
InChIInChI=1S/C12H16N4O/c13-11-6-14-12-10(5-15-16(12)7-11)4-9-2-1-3-17-8-9/h5-7,9H,1-4,8,13H2
InChIKeyYZLOSHMQCRBIQE-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10280184, Example A.1.2
CID 118466923
7-(Oxan-4-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 105524894
3-(Oxan-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 105524895
6-[5-(Methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69044125
6-Cyclopropylpyrazolo[1,5-a]pyrimidin-3-amine
CID 84717526
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
1-(Oxan-2-yl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine
CID 168209014
5-Iodo-3-[4-(oxan-4-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine
CID 170224061
1-[(1S)-1-[(3R)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 175872441
1-[(1R)-1-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 175872444
1-[1-(Oxan-3-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 175872454
1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 175872463

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine (CID 117103446) is 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine is Nc1cnc2c(CC3CCCOC3)cnn2c1.
What is the InChIKey of 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine?
The InChIKey is YZLOSHMQCRBIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-11-6-14-12-10(5-15-16(12)7-11)4-9-2-1-3-17-8-9/h5-7,9H,1-4,8,13H2.
What are the key properties of 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine?
3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine has a molecular weight of 232.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 117103446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).