4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine

C20H25N5O — CID 53320942

IUPAC4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine
SMILESc1coc(CNc2nc(NCCCN3CCCC3)nc3ccccc23)c1
InChIInChI=1S/C20H25N5O/c1-2-9-18-17(8-1)19(22-15-16-7-5-14-26-16)24-20(23-18)21-10-6-13-25-11-3-4-12-25/h1-2,5,7-9,14H,3-4,6,10-13,15H2,(H2,21,22,23,24)
InChIKeyOBWGMEIIWOKUBT-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.73
Rot. Bonds8

About 4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine

4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine (PubChem CID 53320942) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine
PubChem CID53320942
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine
SMILESc1coc(CNc2nc(NCCCN3CCCC3)nc3ccccc23)c1
InChIInChI=1S/C20H25N5O/c1-2-9-18-17(8-1)19(22-15-16-7-5-14-26-16)24-20(23-18)21-10-6-13-25-11-3-4-12-25/h1-2,5,7-9,14H,3-4,6,10-13,15H2,(H2,21,22,23,24)
InChIKeyOBWGMEIIWOKUBT-UHFFFAOYSA-N
XLogP3.73
TPSA66.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.73
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 4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine (CID 53320942) is 4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine is c1coc(CNc2nc(NCCCN3CCCC3)nc3ccccc23)c1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine?
The InChIKey is OBWGMEIIWOKUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-9-18-17(8-1)19(22-15-16-7-5-14-26-16)24-20(23-18)21-10-6-13-25-11-3-4-12-25/h1-2,5,7-9,14H,3-4,6,10-13,15H2,(H2,21,22,23,24).
What are the key properties of 4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine?
4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine has a molecular weight of 351.45 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-2-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine is sourced from PubChem (CID 53320942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).