5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine

C12H13FN4O — CID 80802102

IUPAC5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
SMILESCOCc1cccc(Nc2nc(N)ncc2F)c1
InChIInChI=1S/C12H13FN4O/c1-18-7-8-3-2-4-9(5-8)16-11-10(13)6-15-12(14)17-11/h2-6H,7H2,1H3,(H3,14,15,16,17)
InChIKeyWSQGVJQLVMAPAF-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.09
Rot. Bonds4

About 5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine

5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 80802102) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID80802102
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
SMILESCOCc1cccc(Nc2nc(N)ncc2F)c1
InChIInChI=1S/C12H13FN4O/c1-18-7-8-3-2-4-9(5-8)16-11-10(13)6-15-12(14)17-11/h2-6H,7H2,1H3,(H3,14,15,16,17)
InChIKeyWSQGVJQLVMAPAF-UHFFFAOYSA-N
XLogP2.09
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80762166
4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80761188
5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80801553
2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
CID 79904677
3-[(2-amino-5-fluoropyrimidin-4-yl)amino]benzonitrile
CID 80760407
8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine
CID 119045645
N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927980
4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112726133
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
CID 79080610
5-bromo-4-N-[3-(methoxymethyl)phenyl]-2-N-methylpyrimidine-2,4-diamine
CID 80801794
4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 114250651
5-fluoro-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824688

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine (CID 80802102) is 5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine is COCc1cccc(Nc2nc(N)ncc2F)c1.
What is the InChIKey of 5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is WSQGVJQLVMAPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-18-7-8-3-2-4-9(5-8)16-11-10(13)6-15-12(14)17-11/h2-6H,7H2,1H3,(H3,14,15,16,17).
What are the key properties of 5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 248.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80802102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).