2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

C18H15N5O — CID 3232680

IUPAC2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCc1cnc(CNc2nc(-c3ccoc3)nc3ccccc23)cn1
InChIInChI=1S/C18H15N5O/c1-12-8-20-14(9-19-12)10-21-18-15-4-2-3-5-16(15)22-17(23-18)13-6-7-24-11-13/h2-9,11H,10H2,1H3,(H,21,22,23)
InChIKeyLYNUOVZJAPOJPE-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.60
Rot. Bonds4

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

2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (PubChem CID 3232680) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
PubChem CID3232680
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCc1cnc(CNc2nc(-c3ccoc3)nc3ccccc23)cn1
InChIInChI=1S/C18H15N5O/c1-12-8-20-14(9-19-12)10-21-18-15-4-2-3-5-16(15)22-17(23-18)13-6-7-24-11-13/h2-9,11H,10H2,1H3,(H,21,22,23)
InChIKeyLYNUOVZJAPOJPE-UHFFFAOYSA-N
XLogP3.60
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (CID 3232680) is 2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is Cc1cnc(CNc2nc(-c3ccoc3)nc3ccccc23)cn1.
What is the InChIKey of 2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The InChIKey is LYNUOVZJAPOJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-8-20-14(9-19-12)10-21-18-15-4-2-3-5-16(15)22-17(23-18)13-6-7-24-11-13/h2-9,11H,10H2,1H3,(H,21,22,23).
What are the key properties of 2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine has a molecular weight of 317.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3232680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).