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

C21H20N4S — CID 91963741

IUPAC4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESc1ccc(CCNc2nc(NCc3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C21H20N4S/c1-2-7-16(8-3-1)12-13-22-20-18-10-4-5-11-19(18)24-21(25-20)23-15-17-9-6-14-26-17/h1-11,14H,12-13,15H2,(H2,22,23,24,25)
InChIKeyOCSAJRFZQNVNOW-UHFFFAOYSA-N
MW360.49 g/mol
LogP4.96
Rot. Bonds7

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

4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 91963741) has the molecular formula C21H20N4S and a molecular weight of 360.49 g/mol. Its IUPAC name is 4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID91963741
Molecular FormulaC21H20N4S
Molecular Weight360.49 g/mol
Exact Mass360.14
IUPAC Name4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESc1ccc(CCNc2nc(NCc3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C21H20N4S/c1-2-7-16(8-3-1)12-13-22-20-18-10-4-5-11-19(18)24-21(25-20)23-15-17-9-6-14-26-17/h1-11,14H,12-13,15H2,(H2,22,23,24,25)
InChIKeyOCSAJRFZQNVNOW-UHFFFAOYSA-N
XLogP4.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[2-(4-methoxyphenyl)ethyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963642
4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91966295
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963705
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963356
2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963526
2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963629
2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963837
2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963566
2-N-(3-chlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963528

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (CID 91963741) is 4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is c1ccc(CCNc2nc(NCc3cccs3)nc3ccccc23)cc1.
What is the InChIKey of 4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is OCSAJRFZQNVNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S/c1-2-7-16(8-3-1)12-13-22-20-18-10-4-5-11-19(18)24-21(25-20)23-15-17-9-6-14-26-17/h1-11,14H,12-13,15H2,(H2,22,23,24,25).
What are the key properties of 4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 360.49 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 91963741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).