2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H24N4O — CID 56906897

IUPAC2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(NCCC3CCOC3)n2n1
InChIInChI=1S/C16H24N4O/c1-11(2)14-9-15(17-6-4-13-5-7-21-10-13)20-16(18-14)8-12(3)19-20/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeyCFAYCCHNLYBQQK-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.00
Rot. Bonds5

About 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56906897) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56906897
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(NCCC3CCOC3)n2n1
InChIInChI=1S/C16H24N4O/c1-11(2)14-9-15(17-6-4-13-5-7-21-10-13)20-16(18-14)8-12(3)19-20/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeyCFAYCCHNLYBQQK-UHFFFAOYSA-N
XLogP3.00
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56906897) is 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc(C(C)C)cc(NCCC3CCOC3)n2n1.
What is the InChIKey of 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CFAYCCHNLYBQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)14-9-15(17-6-4-13-5-7-21-10-13)20-16(18-14)8-12(3)19-20/h8-9,11,13,17H,4-7,10H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 288.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56906897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).