2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine

C18H23N5O — CID 53322271

IUPAC2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESCN(C)CCCNc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C18H23N5O/c1-23(2)11-6-10-19-18-21-16-9-4-3-8-15(16)17(22-18)20-13-14-7-5-12-24-14/h3-5,7-9,12H,6,10-11,13H2,1-2H3,(H2,19,20,21,22)
InChIKeyCFQKVFLKICSSJG-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.20
Rot. Bonds8

About 2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine

2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 53322271) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID53322271
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESCN(C)CCCNc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C18H23N5O/c1-23(2)11-6-10-19-18-21-16-9-4-3-8-15(16)17(22-18)20-13-14-7-5-12-24-14/h3-5,7-9,12H,6,10-11,13H2,1-2H3,(H2,19,20,21,22)
InChIKeyCFQKVFLKICSSJG-UHFFFAOYSA-N
XLogP3.20
TPSA66.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine (CID 53322271) is 2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine is CN(C)CCCNc1nc(NCc2ccco2)c2ccccc2n1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is CFQKVFLKICSSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-23(2)11-6-10-19-18-21-16-9-4-3-8-15(16)17(22-18)20-13-14-7-5-12-24-14/h3-5,7-9,12H,6,10-11,13H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 325.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 53322271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).