2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C19H23N7O2 — CID 16743813

IUPAC2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCNCCNc1cc(C)nc2c(C#N)c(Nc3cc(OC)cc(OC)c3)nn12
InChIInChI=1S/C19H23N7O2/c1-12-7-17(22-6-5-21-2)26-19(23-12)16(11-20)18(25-26)24-13-8-14(27-3)10-15(9-13)28-4/h7-10,21-22H,5-6H2,1-4H3,(H,24,25)
InChIKeyBDMZMLQUTIICBN-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.30
Rot. Bonds8

About 2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 16743813) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID16743813
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCNCCNc1cc(C)nc2c(C#N)c(Nc3cc(OC)cc(OC)c3)nn12
InChIInChI=1S/C19H23N7O2/c1-12-7-17(22-6-5-21-2)26-19(23-12)16(11-20)18(25-26)24-13-8-14(27-3)10-15(9-13)28-4/h7-10,21-22H,5-6H2,1-4H3,(H,24,25)
InChIKeyBDMZMLQUTIICBN-UHFFFAOYSA-N
XLogP2.30
TPSA108.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 16743813) is 2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CNCCNc1cc(C)nc2c(C#N)c(Nc3cc(OC)cc(OC)c3)nn12.
What is the InChIKey of 2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is BDMZMLQUTIICBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-12-7-17(22-6-5-21-2)26-19(23-12)16(11-20)18(25-26)24-13-8-14(27-3)10-15(9-13)28-4/h7-10,21-22H,5-6H2,1-4H3,(H,24,25).
What are the key properties of 2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 381.44 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 16743813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).