2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine

C19H15FN4S — CID 91963526

IUPAC2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESFc1ccc(Nc2nc(NCc3cccs3)c3ccccc3n2)cc1
InChIInChI=1S/C19H15FN4S/c20-13-7-9-14(10-8-13)22-19-23-17-6-2-1-5-16(17)18(24-19)21-12-15-4-3-11-25-15/h1-11H,12H2,(H2,21,22,23,24)
InChIKeyYZGPVTXTCQNGHA-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.19
Rot. Bonds5

About 2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine

2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 91963526) has the molecular formula C19H15FN4S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID91963526
Molecular FormulaC19H15FN4S
Molecular Weight350.42 g/mol
Exact Mass350.10
IUPAC Name2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESFc1ccc(Nc2nc(NCc3cccs3)c3ccccc3n2)cc1
InChIInChI=1S/C19H15FN4S/c20-13-7-9-14(10-8-13)22-19-23-17-6-2-1-5-16(17)18(24-19)21-12-15-4-3-11-25-15/h1-11H,12H2,(H2,21,22,23,24)
InChIKeyYZGPVTXTCQNGHA-UHFFFAOYSA-N
XLogP5.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide
CID 91963552
2-N,4-N-bis(4-fluorophenyl)-6-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134152918
2-N-(3-chlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963528
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173
2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963566
4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963705
4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91966295
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963396
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963741

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (CID 91963526) is 2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is Fc1ccc(Nc2nc(NCc3cccs3)c3ccccc3n2)cc1.
What is the InChIKey of 2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is YZGPVTXTCQNGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4S/c20-13-7-9-14(10-8-13)22-19-23-17-6-2-1-5-16(17)18(24-19)21-12-15-4-3-11-25-15/h1-11H,12H2,(H2,21,22,23,24).
What are the key properties of 2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 350.42 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 91963526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).