N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine

C22H19FN6 — CID 6084975

IUPACN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
SMILESC/C(=N/Nc1cc(-n2nc(C)cc2-c2ccccc2)ncn1)c1ccc(F)cc1
InChIInChI=1S/C22H19FN6/c1-15-12-20(18-6-4-3-5-7-18)29(28-15)22-13-21(24-14-25-22)27-26-16(2)17-8-10-19(23)11-9-17/h3-14H,1-2H3,(H,24,25,27)/b26-16-
InChIKeyWZUUFEUWPPTPNZ-QQXSKIMKSA-N
MW386.43 g/mol
LogP4.61
Rot. Bonds5

About N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine

N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 6084975) has the molecular formula C22H19FN6 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID6084975
Molecular FormulaC22H19FN6
Molecular Weight386.43 g/mol
Exact Mass386.17
IUPAC NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
SMILESC/C(=N/Nc1cc(-n2nc(C)cc2-c2ccccc2)ncn1)c1ccc(F)cc1
InChIInChI=1S/C22H19FN6/c1-15-12-20(18-6-4-3-5-7-18)29(28-15)22-13-21(24-14-25-22)27-26-16(2)17-8-10-19(23)11-9-17/h3-14H,1-2H3,(H,24,25,27)/b26-16-
InChIKeyWZUUFEUWPPTPNZ-QQXSKIMKSA-N
XLogP4.61
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine (CID 6084975) is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine is C/C(=N/Nc1cc(-n2nc(C)cc2-c2ccccc2)ncn1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is WZUUFEUWPPTPNZ-QQXSKIMKSA-N. The full InChI is InChI=1S/C22H19FN6/c1-15-12-20(18-6-4-3-5-7-18)29(28-15)22-13-21(24-14-25-22)27-26-16(2)17-8-10-19(23)11-9-17/h3-14H,1-2H3,(H,24,25,27)/b26-16-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 386.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 6084975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).