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

C12H13FN4O — CID 80801553

IUPAC5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
SMILESCOCc1ccccc1Nc1nc(N)ncc1F
InChIInChI=1S/C12H13FN4O/c1-18-7-8-4-2-3-5-10(8)16-11-9(13)6-15-12(14)17-11/h2-6H,7H2,1H3,(H3,14,15,16,17)
InChIKeyPYYQEWQBFTXNBT-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.09
Rot. Bonds4

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

5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 80801553) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID80801553
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
SMILESCOCc1ccccc1Nc1nc(N)ncc1F
InChIInChI=1S/C12H13FN4O/c1-18-7-8-4-2-3-5-10(8)16-11-9(13)6-15-12(14)17-11/h2-6H,7H2,1H3,(H3,14,15,16,17)
InChIKeyPYYQEWQBFTXNBT-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine (CID 80801553) is 5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine is COCc1ccccc1Nc1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is PYYQEWQBFTXNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-18-7-8-4-2-3-5-10(8)16-11-9(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-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-[2-(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-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80801553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).