2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine

C15H16N4O — CID 6486746

IUPAC2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESCCNc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C15H16N4O/c1-2-16-15-18-13-8-4-3-7-12(13)14(19-15)17-10-11-6-5-9-20-11/h3-9H,2,10H2,1H3,(H2,16,17,18,19)
InChIKeyWJRRBFZWVFHXGX-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.27
Rot. Bonds5

About 2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine

2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 6486746) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID6486746
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESCCNc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C15H16N4O/c1-2-16-15-18-13-8-4-3-7-12(13)14(19-15)17-10-11-6-5-9-20-11/h3-9H,2,10H2,1H3,(H2,16,17,18,19)
InChIKeyWJRRBFZWVFHXGX-UHFFFAOYSA-N
XLogP3.27
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine (CID 6486746) is 2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine is CCNc1nc(NCc2ccco2)c2ccccc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is WJRRBFZWVFHXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-16-15-18-13-8-4-3-7-12(13)14(19-15)17-10-11-6-5-9-20-11/h3-9H,2,10H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 268.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 6486746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).