5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine

C14H14FN3O2 — CID 59160652

IUPAC5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine
SMILESC=CCOc1ncc(F)c(NOCc2ccccc2)n1
InChIInChI=1S/C14H14FN3O2/c1-2-8-19-14-16-9-12(15)13(17-14)18-20-10-11-6-4-3-5-7-11/h2-7,9H,1,8,10H2,(H,16,17,18)
InChIKeyPFRGIBVPQQZJMH-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.72
Rot. Bonds7

About 5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine

5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine (PubChem CID 59160652) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine
PubChem CID59160652
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine
SMILESC=CCOc1ncc(F)c(NOCc2ccccc2)n1
InChIInChI=1S/C14H14FN3O2/c1-2-8-19-14-16-9-12(15)13(17-14)18-20-10-11-6-4-3-5-7-11/h2-7,9H,1,8,10H2,(H,16,17,18)
InChIKeyPFRGIBVPQQZJMH-UHFFFAOYSA-N
XLogP2.72
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide
CID 59160654
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-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane
CID 143838946
2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 71407181
5-fluoro-2-(3-phenylpropoxy)pyrimidin-4-amine
CID 59160610
[5-fluoro-2-(thiophen-3-ylmethoxy)pyrimidin-4-yl]hydrazine
CID 118312298
N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide
CID 59160617
2-[[3-(1,1-difluoroprop-2-enyl)-4-methoxyphenyl]methoxy]-5-fluoro-N-methylpyrimidin-4-amine
CID 162564036
2-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]sulfanyl-N-hydroxybenzeneamine oxide
CID 148602267
2-phenylmethoxy-N-prop-2-enoxyethanamine
CID 130844891
N-phenylmethoxypyridin-3-amine;dihydrochloride
CID 141050339

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine (CID 59160652) is 5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine is C=CCOc1ncc(F)c(NOCc2ccccc2)n1.
What is the InChIKey of 5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine?
The InChIKey is PFRGIBVPQQZJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-2-8-19-14-16-9-12(15)13(17-14)18-20-10-11-6-4-3-5-7-11/h2-7,9H,1,8,10H2,(H,16,17,18).
What are the key properties of 5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine?
5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine has a molecular weight of 275.28 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine is sourced from PubChem (CID 59160652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).