[2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate

C14H13FN4O3 — CID 118312325

IUPAC[2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate
SMILES[H]/N=C/Oc1ccccc1COc1ncc(F)c(NC(C)=O)n1
InChIInChI=1S/C14H13FN4O3/c1-9(20)18-13-11(15)6-17-14(19-13)21-7-10-4-2-3-5-12(10)22-8-16/h2-6,8,16H,7H2,1H3,(H,17,18,19,20)/b16-8+
InChIKeyDKKSMGPBDHPNHX-LZYBPNLTSA-N
MW304.28 g/mol
LogP2.14
Rot. Bonds6

About [2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate

[2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate (PubChem CID 118312325) has the molecular formula C14H13FN4O3 and a molecular weight of 304.28 g/mol. Its IUPAC name is [2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate.

Molecular Properties

Compound Name[2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate
PubChem CID118312325
Molecular FormulaC14H13FN4O3
Molecular Weight304.28 g/mol
Exact Mass304.10
IUPAC Name[2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate
SMILES[H]/N=C/Oc1ccccc1COc1ncc(F)c(NC(C)=O)n1
InChIInChI=1S/C14H13FN4O3/c1-9(20)18-13-11(15)6-17-14(19-13)21-7-10-4-2-3-5-12(10)22-8-16/h2-6,8,16H,7H2,1H3,(H,17,18,19,20)/b16-8+
InChIKeyDKKSMGPBDHPNHX-LZYBPNLTSA-N
XLogP2.14
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84560046
1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-[(2-fluorophenyl)methyl]urea
CID 89165320
2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid
CID 83181645
1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine
CID 59160653
5-fluoro-2-[(4-fluorophenyl)methoxy]-N-[(E)-(2-methylphenyl)methylideneamino]pyrimidin-4-amine
CID 118312671
N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide
CID 59160654
5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine
CID 59160652
N-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide
CID 157041880
2-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]sulfanyl-N-hydroxybenzeneamine oxide
CID 148602267
N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 47137996
(E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide
CID 84562015
N-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]acetamide
CID 9017920

Frequently Asked Questions

What is the IUPAC name of [2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate?
The IUPAC name of [2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate (CID 118312325) is [2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate.
What is the SMILES notation for [2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate?
The canonical SMILES for [2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate is [H]/N=C/Oc1ccccc1COc1ncc(F)c(NC(C)=O)n1.
What is the InChIKey of [2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate?
The InChIKey is DKKSMGPBDHPNHX-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H13FN4O3/c1-9(20)18-13-11(15)6-17-14(19-13)21-7-10-4-2-3-5-12(10)22-8-16/h2-6,8,16H,7H2,1H3,(H,17,18,19,20)/b16-8+.
What are the key properties of [2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate?
[2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate has a molecular weight of 304.28 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate is sourced from PubChem (CID 118312325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).