2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine

C20H18N4 — CID 684860

IUPAC2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(N)c1-c1ccccc1
InChIInChI=1S/C20H18N4/c1-13-17(15-9-5-3-6-10-15)19(21)24-20(22-13)18(14(2)23-24)16-11-7-4-8-12-16/h3-12H,21H2,1-2H3
InChIKeyCOYLEYRJZHTLTR-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.26
Rot. Bonds2

About 2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 684860) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID684860
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(N)c1-c1ccccc1
InChIInChI=1S/C20H18N4/c1-13-17(15-9-5-3-6-10-15)19(21)24-20(22-13)18(14(2)23-24)16-11-7-4-8-12-16/h3-12H,21H2,1-2H3
InChIKeyCOYLEYRJZHTLTR-UHFFFAOYSA-N
XLogP4.26
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 684860) is 2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2c(-c3ccccc3)c(C)nn2c(N)c1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is COYLEYRJZHTLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-13-17(15-9-5-3-6-10-15)19(21)24-20(22-13)18(14(2)23-24)16-11-7-4-8-12-16/h3-12H,21H2,1-2H3.
What are the key properties of 2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 314.39 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 684860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).