2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine

C21H21FN6 — CID 156820997

IUPAC2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine
SMILESFc1cccc(CCNc2nc(NCCc3cnc[nH]3)c3ccccc3n2)c1
InChIInChI=1S/C21H21FN6/c22-16-5-3-4-15(12-16)8-10-25-21-27-19-7-2-1-6-18(19)20(28-21)24-11-9-17-13-23-14-26-17/h1-7,12-14H,8-11H2,(H,23,26)(H2,24,25,27,28)
InChIKeyVHDYBUIQPWHDJI-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.80
Rot. Bonds8

About 2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine

2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine (PubChem CID 156820997) has the molecular formula C21H21FN6 and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine
PubChem CID156820997
Molecular FormulaC21H21FN6
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC Name2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine
SMILESFc1cccc(CCNc2nc(NCCc3cnc[nH]3)c3ccccc3n2)c1
InChIInChI=1S/C21H21FN6/c22-16-5-3-4-15(12-16)8-10-25-21-27-19-7-2-1-6-18(19)20(28-21)24-11-9-17-13-23-14-26-17/h1-7,12-14H,8-11H2,(H,23,26)(H2,24,25,27,28)
InChIKeyVHDYBUIQPWHDJI-UHFFFAOYSA-N
XLogP3.80
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine with MolForge

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Related Compounds

2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 3289360
2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 69221519
2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170000713
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966285
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966287
2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine
CID 156820994
5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride
CID 122163567
5-fluoro-4-N-[2-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80774383
4-[2-[[4-anilino-6-[4-[[[4-(3-anilinoanilino)-6-[2-(1H-imidazol-5-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11457058
2-N-[2-(3,4-difluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine
CID 156820921

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine (CID 156820997) is 2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine is Fc1cccc(CCNc2nc(NCCc3cnc[nH]3)c3ccccc3n2)c1.
What is the InChIKey of 2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine?
The InChIKey is VHDYBUIQPWHDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6/c22-16-5-3-4-15(12-16)8-10-25-21-27-19-7-2-1-6-18(19)20(28-21)24-11-9-17-13-23-14-26-17/h1-7,12-14H,8-11H2,(H,23,26)(H2,24,25,27,28).
What are the key properties of 2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine?
2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine has a molecular weight of 376.44 g/mol, XLogP of 3.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 156820997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).