4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine

C20H20FN7O — CID 174111296

IUPAC4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine
SMILESCOCc1cccc(C/N=C/C(=NN)c2cc(-c3ccccc3F)nc(N)n2)n1
InChIInChI=1S/C20H20FN7O/c1-29-12-14-6-4-5-13(25-14)10-24-11-19(28-23)18-9-17(26-20(22)27-18)15-7-2-3-8-16(15)21/h2-9,11H,10,12,23H2,1H3,(H2,22,26,27)/b24-11+,28-19?
InChIKeyQODBKILOALXQRK-RHXDFADKSA-N
MW393.43 g/mol
LogP2.34
Rot. Bonds7

About 4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine

4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine (PubChem CID 174111296) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine
PubChem CID174111296
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine
SMILESCOCc1cccc(C/N=C/C(=NN)c2cc(-c3ccccc3F)nc(N)n2)n1
InChIInChI=1S/C20H20FN7O/c1-29-12-14-6-4-5-13(25-14)10-24-11-19(28-23)18-9-17(26-20(22)27-18)15-7-2-3-8-16(15)21/h2-9,11H,10,12,23H2,1H3,(H2,22,26,27)/b24-11+,28-19?
InChIKeyQODBKILOALXQRK-RHXDFADKSA-N
XLogP2.34
TPSA124.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine?
The IUPAC name of 4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine (CID 174111296) is 4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine is COCc1cccc(C/N=C/C(=NN)c2cc(-c3ccccc3F)nc(N)n2)n1.
What is the InChIKey of 4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine?
The InChIKey is QODBKILOALXQRK-RHXDFADKSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-29-12-14-6-4-5-13(25-14)10-24-11-19(28-23)18-9-17(26-20(22)27-18)15-7-2-3-8-16(15)21/h2-9,11H,10,12,23H2,1H3,(H2,22,26,27)/b24-11+,28-19?.
What are the key properties of 4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine?
4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine has a molecular weight of 393.43 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-[2-[[6-(methoxymethyl)-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-amine is sourced from PubChem (CID 174111296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).