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

C19H17FN6 — CID 170000713

IUPAC2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(NCc3cccc(F)c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C19H17FN6/c1-12-9-17(26-25-12)23-18-15-7-2-3-8-16(15)22-19(24-18)21-11-13-5-4-6-14(20)10-13/h2-10H,11H2,1H3,(H3,21,22,23,24,25,26)
InChIKeyZUANTSGMZCTZTH-UHFFFAOYSA-N
MW348.39 g/mol
LogP4.16
Rot. Bonds5

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

2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine (PubChem CID 170000713) has the molecular formula C19H17FN6 and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
PubChem CID170000713
Molecular FormulaC19H17FN6
Molecular Weight348.39 g/mol
Exact Mass348.15
IUPAC Name2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(NCc3cccc(F)c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C19H17FN6/c1-12-9-17(26-25-12)23-18-15-7-2-3-8-16(15)22-19(24-18)21-11-13-5-4-6-14(20)10-13/h2-10H,11H2,1H3,(H3,21,22,23,24,25,26)
InChIKeyZUANTSGMZCTZTH-UHFFFAOYSA-N
XLogP4.16
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946131
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine
CID 10178621
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
CID 69221219
2-(3-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]ethanol
CID 91267082
2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 20604329
N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine
CID 91262497
(4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid
CID 68787141
2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946142
2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
CID 154453023
2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine
CID 156820997
4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 46224524
(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol sulfate
CID 71727288

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine (CID 170000713) is 2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine is Cc1cc(Nc2nc(NCc3cccc(F)c3)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine?
The InChIKey is ZUANTSGMZCTZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6/c1-12-9-17(26-25-12)23-18-15-7-2-3-8-16(15)22-19(24-18)21-11-13-5-4-6-14(20)10-13/h2-10H,11H2,1H3,(H3,21,22,23,24,25,26).
What are the key properties of 2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine?
2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine has a molecular weight of 348.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 170000713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).