4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine

C14H14N4O — CID 6486747

IUPAC4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C14H14N4O/c1-15-14-17-12-7-3-2-6-11(12)13(18-14)16-9-10-5-4-8-19-10/h2-8H,9H2,1H3,(H2,15,16,17,18)
InChIKeyDTYQWIBCJBJSLO-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.88
Rot. Bonds4

About 4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine

4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine (PubChem CID 6486747) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine
PubChem CID6486747
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C14H14N4O/c1-15-14-17-12-7-3-2-6-11(12)13(18-14)16-9-10-5-4-8-19-10/h2-8H,9H2,1H3,(H2,15,16,17,18)
InChIKeyDTYQWIBCJBJSLO-UHFFFAOYSA-N
XLogP2.88
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine (CID 6486747) is 4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine is CNc1nc(NCc2ccco2)c2ccccc2n1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine?
The InChIKey is DTYQWIBCJBJSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-15-14-17-12-7-3-2-6-11(12)13(18-14)16-9-10-5-4-8-19-10/h2-8H,9H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine?
4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine has a molecular weight of 254.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 6486747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).