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

C12H16N4O — CID 117103223

IUPAC3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2c(CC3CCCOC3)cnn12
InChIInChI=1S/C12H16N4O/c13-11-3-4-14-12-10(7-15-16(11)12)6-9-2-1-5-17-8-9/h3-4,7,9H,1-2,5-6,8,13H2
InChIKeyLRUSSCHGSDORJR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.28
Rot. Bonds2

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

3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 117103223) 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-7-amine.

Molecular Properties

Compound Name3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID117103223
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2c(CC3CCCOC3)cnn12
InChIInChI=1S/C12H16N4O/c13-11-3-4-14-12-10(7-15-16(11)12)6-9-2-1-5-17-8-9/h3-4,7,9H,1-2,5-6,8,13H2
InChIKeyLRUSSCHGSDORJR-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

Pyrazolo[1,5-a]pyrimidine-6-propanol, 6-acetate
CID 12773582
3-{Pyrazolo[1,5-a]pyrimidin-6-yl}propan-1-ol
CID 12773578
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
3-(4,4-Difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 176899045
3-(Oxan-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 105524899
4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine
CID 58369142
5-(Oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 68590968
3-(1-Ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 68750306
3-(1-Ethylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 68784909
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-Methyl-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70878914

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 117103223) is 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1ccnc2c(CC3CCCOC3)cnn12.
What is the InChIKey of 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LRUSSCHGSDORJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-11-3-4-14-12-10(7-15-16(11)12)6-9-2-1-5-17-8-9/h3-4,7,9H,1-2,5-6,8,13H2.
What are the key properties of 3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-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-7-amine is sourced from PubChem (CID 117103223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).