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

C20H18N4O — CID 886276

IUPAC4-N-(furan-2-ylmethyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C20H18N4O/c1-14-7-2-4-10-17(14)22-20-23-18-11-5-3-9-16(18)19(24-20)21-13-15-8-6-12-25-15/h2-12H,13H2,1H3,(H2,21,22,23,24)
InChIKeyNZDRBVMWEIXLHA-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.89
Rot. Bonds5

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

4-N-(furan-2-ylmethyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine (PubChem CID 886276) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine
PubChem CID886276
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name4-N-(furan-2-ylmethyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C20H18N4O/c1-14-7-2-4-10-17(14)22-20-23-18-11-5-3-9-16(18)19(24-20)21-13-15-8-6-12-25-15/h2-12H,13H2,1H3,(H2,21,22,23,24)
InChIKeyNZDRBVMWEIXLHA-UHFFFAOYSA-N
XLogP4.89
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'melamine_A(3)', 'substructure': 'N/A'}

Analyze 4-N-(furan-2-ylmethyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine with MolForge

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Related Compounds

4-[2-(Furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol
CID 57339806
Nifurquinazol
CID 21139
N2-(4-Fluorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine hydrochloride
CID 2908985
Antimalarial agent 13
CID 1285085
CID 2910633
CID 2910633
N~2~-(3-methoxyphenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine hydrochloride
CID 2951909
N-[(Furan-2-Yl)methyl]-2-Phenylquinazolin-4-Amine
CID 719250
Piperazine, 1-(4-amino-6-bromo-2-quinazolinyl)-4-(2-furanylcarbonyl)-, monohydrochloride
CID 3066781
2-Chloro-N-[(furan-2-yl)methyl]quinazolin-4-amine
CID 1599048
2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 1465905
N~4~-(2-furylmethyl)-N~2~-(2-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2908311
CID 2952918
CID 2952918

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine (CID 886276) is 4-N-(furan-2-ylmethyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine is Cc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is NZDRBVMWEIXLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-7-2-4-10-17(14)22-20-23-18-11-5-3-9-16(18)19(24-20)21-13-15-8-6-12-25-15/h2-12H,13H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(furan-2-ylmethyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine?
4-N-(furan-2-ylmethyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 330.39 g/mol, XLogP of 4.89, 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)-2-N-(2-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 886276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).