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

C20H19FN6 — CID 164613571

IUPAC4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
SMILESCCc1cc(Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H19FN6/c1-2-15-11-18(27-26-15)24-19-16-5-3-4-6-17(16)23-20(25-19)22-12-13-7-9-14(21)10-8-13/h3-11H,2,12H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyMYVXPLSILQDDFA-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.41
Rot. Bonds6

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

4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine (PubChem CID 164613571) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
PubChem CID164613571
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
SMILESCCc1cc(Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H19FN6/c1-2-15-11-18(27-26-15)24-19-16-5-3-4-6-17(16)23-20(25-19)22-12-13-7-9-14(21)10-8-13/h3-11H,2,12H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyMYVXPLSILQDDFA-UHFFFAOYSA-N
XLogP4.41
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine (CID 164613571) is 4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine is CCc1cc(Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)n[nH]1.
What is the InChIKey of 4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine?
The InChIKey is MYVXPLSILQDDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c1-2-15-11-18(27-26-15)24-19-16-5-3-4-6-17(16)23-20(25-19)22-12-13-7-9-14(21)10-8-13/h3-11H,2,12H2,1H3,(H3,22,23,24,25,26,27).
What are the key properties of 4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine?
4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine has a molecular weight of 362.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 164613571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).