1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine

C13H17FN4O2 — CID 118311798

IUPAC1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine
SMILESCOC1=CC(COc2ncc(F)c(N(C)N)n2)=CCC1
InChIInChI=1S/C13H17FN4O2/c1-18(15)12-11(14)7-16-13(17-12)20-8-9-4-3-5-10(6-9)19-2/h4,6-7H,3,5,8,15H2,1-2H3
InChIKeyPBVFNYNVNCBRCN-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.55
Rot. Bonds5

About 1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine

1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine (PubChem CID 118311798) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine
PubChem CID118311798
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC Name1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine
SMILESCOC1=CC(COc2ncc(F)c(N(C)N)n2)=CCC1
InChIInChI=1S/C13H17FN4O2/c1-18(15)12-11(14)7-16-13(17-12)20-8-9-4-3-5-10(6-9)19-2/h4,6-7H,3,5,8,15H2,1-2H3
InChIKeyPBVFNYNVNCBRCN-UHFFFAOYSA-N
XLogP1.55
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine?
The IUPAC name of 1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine (CID 118311798) is 1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine.
What is the SMILES notation for 1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine?
The canonical SMILES for 1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine is COC1=CC(COc2ncc(F)c(N(C)N)n2)=CCC1.
What is the InChIKey of 1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine?
The InChIKey is PBVFNYNVNCBRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c1-18(15)12-11(14)7-16-13(17-12)20-8-9-4-3-5-10(6-9)19-2/h4,6-7H,3,5,8,15H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine?
1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine has a molecular weight of 280.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine is sourced from PubChem (CID 118311798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).