4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine

C15H16N4O — CID 64589688

IUPAC4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine
SMILESCc1occc1CN(C)c1ncnc2ccc(N)cc12
InChIInChI=1S/C15H16N4O/c1-10-11(5-6-20-10)8-19(2)15-13-7-12(16)3-4-14(13)17-9-18-15/h3-7,9H,8,16H2,1-2H3
InChIKeyPZVGNUHUGZQPJG-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.75
Rot. Bonds3

About 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine

4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine (PubChem CID 64589688) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine
PubChem CID64589688
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine
SMILESCc1occc1CN(C)c1ncnc2ccc(N)cc12
InChIInChI=1S/C15H16N4O/c1-10-11(5-6-20-10)8-19(2)15-13-7-12(16)3-4-14(13)17-9-18-15/h3-7,9H,8,16H2,1-2H3
InChIKeyPZVGNUHUGZQPJG-UHFFFAOYSA-N
XLogP2.75
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine (CID 64589688) is 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine is Cc1occc1CN(C)c1ncnc2ccc(N)cc12.
What is the InChIKey of 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine?
The InChIKey is PZVGNUHUGZQPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-11(5-6-20-10)8-19(2)15-13-7-12(16)3-4-14(13)17-9-18-15/h3-7,9H,8,16H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine?
4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine is sourced from PubChem (CID 64589688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).