2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine

C22H25N9 — CID 133333655

IUPAC2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine
SMILESCc1cc(C)n(-c2cncc(N3CCN(Cc4nc(N)c5ccccc5n4)CC3)n2)n1
InChIInChI=1S/C22H25N9/c1-15-11-16(2)31(28-15)21-13-24-12-20(27-21)30-9-7-29(8-10-30)14-19-25-18-6-4-3-5-17(18)22(23)26-19/h3-6,11-13H,7-10,14H2,1-2H3,(H2,23,25,26)
InChIKeyKIZWSHHVTNOJHE-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.13
Rot. Bonds4

About 2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine

2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine (PubChem CID 133333655) has the molecular formula C22H25N9 and a molecular weight of 415.51 g/mol. Its IUPAC name is 2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine
PubChem CID133333655
Molecular FormulaC22H25N9
Molecular Weight415.51 g/mol
Exact Mass415.22
IUPAC Name2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine
SMILESCc1cc(C)n(-c2cncc(N3CCN(Cc4nc(N)c5ccccc5n4)CC3)n2)n1
InChIInChI=1S/C22H25N9/c1-15-11-16(2)31(28-15)21-13-24-12-20(27-21)30-9-7-29(8-10-30)14-19-25-18-6-4-3-5-17(18)22(23)26-19/h3-6,11-13H,7-10,14H2,1-2H3,(H2,23,25,26)
InChIKeyKIZWSHHVTNOJHE-UHFFFAOYSA-N
XLogP2.13
TPSA101.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine (CID 133333655) is 2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine is Cc1cc(C)n(-c2cncc(N3CCN(Cc4nc(N)c5ccccc5n4)CC3)n2)n1.
What is the InChIKey of 2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is KIZWSHHVTNOJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9/c1-15-11-16(2)31(28-15)21-13-24-12-20(27-21)30-9-7-29(8-10-30)14-19-25-18-6-4-3-5-17(18)22(23)26-19/h3-6,11-13H,7-10,14H2,1-2H3,(H2,23,25,26).
What are the key properties of 2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine?
2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 415.51 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 133333655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).