N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

C16H24N4O — CID 56915145

IUPACN-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCCC2CCCOC2)n2nccc2n1
InChIInChI=1S/C16H24N4O/c1-2-4-14-11-16(20-15(19-14)7-9-18-20)17-8-6-13-5-3-10-21-12-13/h7,9,11,13,17H,2-6,8,10,12H2,1H3
InChIKeyAABNDCCLTVIOEB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.91
Rot. Bonds6

About N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56915145) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56915145
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCCC2CCCOC2)n2nccc2n1
InChIInChI=1S/C16H24N4O/c1-2-4-14-11-16(20-15(19-14)7-9-18-20)17-8-6-13-5-3-10-21-12-13/h7,9,11,13,17H,2-6,8,10,12H2,1H3
InChIKeyAABNDCCLTVIOEB-UHFFFAOYSA-N
XLogP2.91
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56915145) is N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NCCC2CCCOC2)n2nccc2n1.
What is the InChIKey of N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AABNDCCLTVIOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-4-14-11-16(20-15(19-14)7-9-18-20)17-8-6-13-5-3-10-21-12-13/h7,9,11,13,17H,2-6,8,10,12H2,1H3.
What are the key properties of N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 288.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56915145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).