4-N-(furan-2-ylmethyl)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine

C17H20N4O — CID 90676315

IUPAC4-N-(furan-2-ylmethyl)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine
SMILESCc1cccc2c(NCc3ccco3)nc(NC(C)C)nc12
InChIInChI=1S/C17H20N4O/c1-11(2)19-17-20-15-12(3)6-4-8-14(15)16(21-17)18-10-13-7-5-9-22-13/h4-9,11H,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyRPVHJURJQSIDFQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.96
Rot. Bonds5

About 4-N-(furan-2-ylmethyl)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine

4-N-(furan-2-ylmethyl)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine (PubChem CID 90676315) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine
PubChem CID90676315
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-N-(furan-2-ylmethyl)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine
SMILESCc1cccc2c(NCc3ccco3)nc(NC(C)C)nc12
InChIInChI=1S/C17H20N4O/c1-11(2)19-17-20-15-12(3)6-4-8-14(15)16(21-17)18-10-13-7-5-9-22-13/h4-9,11H,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyRPVHJURJQSIDFQ-UHFFFAOYSA-N
XLogP3.96
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.96
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)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine (CID 90676315) is 4-N-(furan-2-ylmethyl)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine is Cc1cccc2c(NCc3ccco3)nc(NC(C)C)nc12.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine?
The InChIKey is RPVHJURJQSIDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11(2)19-17-20-15-12(3)6-4-8-14(15)16(21-17)18-10-13-7-5-9-22-13/h4-9,11H,10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(furan-2-ylmethyl)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine?
4-N-(furan-2-ylmethyl)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine has a molecular weight of 296.37 g/mol, XLogP of 3.96, 5 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)-8-methyl-2-N-propan-2-ylquinazoline-2,4-diamine is sourced from PubChem (CID 90676315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).