2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H18N6 — CID 122193193

IUPAC2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cnccn2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H18N6/c1-13-10-17(22-12-16-11-20-8-9-21-16)25-19(23-13)18(14(2)24-25)15-6-4-3-5-7-15/h3-11,22H,12H2,1-2H3
InChIKeyLCRPCJNULHYBLY-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.42
Rot. Bonds4

About 2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 122193193) has the molecular formula C19H18N6 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID122193193
Molecular FormulaC19H18N6
Molecular Weight330.39 g/mol
Exact Mass330.16
IUPAC Name2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cnccn2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H18N6/c1-13-10-17(22-12-16-11-20-8-9-21-16)25-19(23-13)18(14(2)24-25)15-6-4-3-5-7-15/h3-11,22H,12H2,1-2H3
InChIKeyLCRPCJNULHYBLY-UHFFFAOYSA-N
XLogP3.42
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 122193193) is 2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2cnccn2)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LCRPCJNULHYBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-13-10-17(22-12-16-11-20-8-9-21-16)25-19(23-13)18(14(2)24-25)15-6-4-3-5-7-15/h3-11,22H,12H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 330.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 122193193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).