N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C19H24N4O2 — CID 20895223

IUPACN-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)Nc1cc(C)nc2cc(-c3ccc(OC)c(OC)c3)nn12
InChIInChI=1S/C19H24N4O2/c1-6-12(2)20-18-9-13(3)21-19-11-15(22-23(18)19)14-7-8-16(24-4)17(10-14)25-5/h7-12,20H,6H2,1-5H3
InChIKeySPSXQULKKZELGN-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.93
Rot. Bonds6

About N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 20895223) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID20895223
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)Nc1cc(C)nc2cc(-c3ccc(OC)c(OC)c3)nn12
InChIInChI=1S/C19H24N4O2/c1-6-12(2)20-18-9-13(3)21-19-11-15(22-23(18)19)14-7-8-16(24-4)17(10-14)25-5/h7-12,20H,6H2,1-5H3
InChIKeySPSXQULKKZELGN-UHFFFAOYSA-N
XLogP3.93
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 20895223) is N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is CCC(C)Nc1cc(C)nc2cc(-c3ccc(OC)c(OC)c3)nn12.
What is the InChIKey of N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SPSXQULKKZELGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-6-12(2)20-18-9-13(3)21-19-11-15(22-23(18)19)14-7-8-16(24-4)17(10-14)25-5/h7-12,20H,6H2,1-5H3.
What are the key properties of N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 340.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 20895223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).