[2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine

C14H17FN4O — CID 107922925

IUPAC[2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCOc1cc(-c2nc(NN)cc(C(C)C)n2)ccc1F
InChIInChI=1S/C14H17FN4O/c1-8(2)11-7-13(19-16)18-14(17-11)9-4-5-10(15)12(6-9)20-3/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyBULNSBIGYFXNCT-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.70
Rot. Bonds4

About [2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine

[2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 107922925) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is [2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID107922925
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name[2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCOc1cc(-c2nc(NN)cc(C(C)C)n2)ccc1F
InChIInChI=1S/C14H17FN4O/c1-8(2)11-7-13(19-16)18-14(17-11)9-4-5-10(15)12(6-9)20-3/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyBULNSBIGYFXNCT-UHFFFAOYSA-N
XLogP2.70
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62251071
[2-(4-fluoro-3-methoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 107922932
[6-propan-2-yl-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]hydrazine
CID 62251863
2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62191916
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
CID 107922643
N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976084
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62190941
2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 107922532
[2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62251070
[2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 63086854
N-ethyl-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine
CID 114938334

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine (CID 107922925) is [2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine is COc1cc(-c2nc(NN)cc(C(C)C)n2)ccc1F.
What is the InChIKey of [2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is BULNSBIGYFXNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-8(2)11-7-13(19-16)18-14(17-11)9-4-5-10(15)12(6-9)20-3/h4-8H,16H2,1-3H3,(H,17,18,19).
What are the key properties of [2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
[2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 276.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107922925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).