N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine

C16H15FN6 — CID 135569777

IUPACN-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/c2cn[nH]c2-c2ccc(F)cc2)n1
InChIInChI=1S/C16H15FN6/c1-10-7-11(2)21-16(20-10)23-19-9-13-8-18-22-15(13)12-3-5-14(17)6-4-12/h3-9H,1-2H3,(H,18,22)(H,20,21,23)/b19-9+
InChIKeyIZIGUBMYRDCAGZ-DJKKODMXSA-N
MW310.34 g/mol
LogP3.07
Rot. Bonds4

About N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine

N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 135569777) has the molecular formula C16H15FN6 and a molecular weight of 310.34 g/mol. Its IUPAC name is N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID135569777
Molecular FormulaC16H15FN6
Molecular Weight310.34 g/mol
Exact Mass310.13
IUPAC NameN-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/c2cn[nH]c2-c2ccc(F)cc2)n1
InChIInChI=1S/C16H15FN6/c1-10-7-11(2)21-16(20-10)23-19-9-13-8-18-22-15(13)12-3-5-14(17)6-4-12/h3-9H,1-2H3,(H,18,22)(H,20,21,23)/b19-9+
InChIKeyIZIGUBMYRDCAGZ-DJKKODMXSA-N
XLogP3.07
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 135569777) is N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(N/N=C/c2cn[nH]c2-c2ccc(F)cc2)n1.
What is the InChIKey of N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is IZIGUBMYRDCAGZ-DJKKODMXSA-N. The full InChI is InChI=1S/C16H15FN6/c1-10-7-11(2)21-16(20-10)23-19-9-13-8-18-22-15(13)12-3-5-14(17)6-4-12/h3-9H,1-2H3,(H,18,22)(H,20,21,23)/b19-9+.
What are the key properties of N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 310.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 135569777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).