5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine

C9H9FN4O — CID 106418986

IUPAC5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
SMILESCc1ncnc(NCc2ccno2)c1F
InChIInChI=1S/C9H9FN4O/c1-6-8(10)9(13-5-12-6)11-4-7-2-3-14-15-7/h2-3,5H,4H2,1H3,(H,11,12,13)
InChIKeyQCWCZSQQXPMHLK-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.52
Rot. Bonds3

About 5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine

5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 106418986) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID106418986
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
SMILESCc1ncnc(NCc2ccno2)c1F
InChIInChI=1S/C9H9FN4O/c1-6-8(10)9(13-5-12-6)11-4-7-2-3-14-15-7/h2-3,5H,4H2,1H3,(H,11,12,13)
InChIKeyQCWCZSQQXPMHLK-UHFFFAOYSA-N
XLogP1.52
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine (CID 106418986) is 5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine is Cc1ncnc(NCc2ccno2)c1F.
What is the InChIKey of 5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is QCWCZSQQXPMHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-6-8(10)9(13-5-12-6)11-4-7-2-3-14-15-7/h2-3,5H,4H2,1H3,(H,11,12,13).
What are the key properties of 5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine?
5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 208.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106418986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).