3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine

C18H22N4 — CID 137480985

IUPAC3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCCc1cc(N)nc2c(-c3c(C)cccc3C)c(C)nn12
InChIInChI=1S/C18H22N4/c1-5-7-14-10-15(19)20-18-17(13(4)21-22(14)18)16-11(2)8-6-9-12(16)3/h6,8-10H,5,7H2,1-4H3,(H2,19,20)
InChIKeyWMUHWCCLXICTQC-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.86
Rot. Bonds3

About 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine

3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 137480985) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID137480985
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCCc1cc(N)nc2c(-c3c(C)cccc3C)c(C)nn12
InChIInChI=1S/C18H22N4/c1-5-7-14-10-15(19)20-18-17(13(4)21-22(14)18)16-11(2)8-6-9-12(16)3/h6,8-10H,5,7H2,1-4H3,(H2,19,20)
InChIKeyWMUHWCCLXICTQC-UHFFFAOYSA-N
XLogP3.86
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine (CID 137480985) is 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine is CCCc1cc(N)nc2c(-c3c(C)cccc3C)c(C)nn12.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is WMUHWCCLXICTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-5-7-14-10-15(19)20-18-17(13(4)21-22(14)18)16-11(2)8-6-9-12(16)3/h6,8-10H,5,7H2,1-4H3,(H2,19,20).
What are the key properties of 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine?
3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 294.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 137480985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).