6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

C19H18N6O — CID 3233045

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCc1cnc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)cn1
InChIInChI=1S/C19H18N6O/c1-11-7-21-15(8-20-11)9-22-19-16-6-14(4-5-17(16)23-10-24-19)18-12(2)25-26-13(18)3/h4-8,10H,9H2,1-3H3,(H,22,23,24)
InChIKeyZMNNUUYGMZMMSG-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.61
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (PubChem CID 3233045) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
PubChem CID3233045
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCc1cnc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)cn1
InChIInChI=1S/C19H18N6O/c1-11-7-21-15(8-20-11)9-22-19-16-6-14(4-5-17(16)23-10-24-19)18-12(2)25-26-13(18)3/h4-8,10H,9H2,1-3H3,(H,22,23,24)
InChIKeyZMNNUUYGMZMMSG-UHFFFAOYSA-N
XLogP3.61
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (CID 3233045) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is Cc1cnc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)cn1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The InChIKey is ZMNNUUYGMZMMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-11-7-21-15(8-20-11)9-22-19-16-6-14(4-5-17(16)23-10-24-19)18-12(2)25-26-13(18)3/h4-8,10H,9H2,1-3H3,(H,22,23,24).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine has a molecular weight of 346.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3233045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).