2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

C21H17N5O2 — CID 3233883

IUPAC2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCc1cnc(CNc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)cn1
InChIInChI=1S/C21H17N5O2/c1-13-9-23-15(10-22-13)11-24-21-16-4-2-3-5-17(16)25-20(26-21)14-6-7-18-19(8-14)28-12-27-18/h2-10H,11-12H2,1H3,(H,24,25,26)
InChIKeyWXZOCAAZKGNHEZ-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.74
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (PubChem CID 3233883) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
PubChem CID3233883
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCc1cnc(CNc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)cn1
InChIInChI=1S/C21H17N5O2/c1-13-9-23-15(10-22-13)11-24-21-16-4-2-3-5-17(16)25-20(26-21)14-6-7-18-19(8-14)28-12-27-18/h2-10H,11-12H2,1H3,(H,24,25,26)
InChIKeyWXZOCAAZKGNHEZ-UHFFFAOYSA-N
XLogP3.74
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (CID 3233883) is 2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is Cc1cnc(CNc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)cn1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The InChIKey is WXZOCAAZKGNHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-13-9-23-15(10-22-13)11-24-21-16-4-2-3-5-17(16)25-20(26-21)14-6-7-18-19(8-14)28-12-27-18/h2-10H,11-12H2,1H3,(H,24,25,26).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine has a molecular weight of 371.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3233883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).