5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine

C9H10FN5O — CID 103744418

IUPAC5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1ncnc(NCCc2ncno2)c1F
InChIInChI=1S/C9H10FN5O/c1-6-8(10)9(14-4-12-6)11-3-2-7-13-5-15-16-7/h4-5H,2-3H2,1H3,(H,11,12,14)
InChIKeyMKOQOLYCXMWSNP-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.96
Rot. Bonds4

About 5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine

5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 103744418) has the molecular formula C9H10FN5O and a molecular weight of 223.21 g/mol. Its IUPAC name is 5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID103744418
Molecular FormulaC9H10FN5O
Molecular Weight223.21 g/mol
Exact Mass223.09
IUPAC Name5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1ncnc(NCCc2ncno2)c1F
InChIInChI=1S/C9H10FN5O/c1-6-8(10)9(14-4-12-6)11-3-2-7-13-5-15-16-7/h4-5H,2-3H2,1H3,(H,11,12,14)
InChIKeyMKOQOLYCXMWSNP-UHFFFAOYSA-N
XLogP0.96
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-N-methylacetamide
CID 103634769
2-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]propanamide
CID 103634997
5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 103703209
3-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]butanamide
CID 103703522
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103744279
6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103880030
6-ethyl-5-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 103880046
6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 103880160
N-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide
CID 103930932
4-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 105023362
3-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106097233
5-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106238678

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (CID 103744418) is 5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is Cc1ncnc(NCCc2ncno2)c1F.
What is the InChIKey of 5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is MKOQOLYCXMWSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O/c1-6-8(10)9(14-4-12-6)11-3-2-7-13-5-15-16-7/h4-5H,2-3H2,1H3,(H,11,12,14).
What are the key properties of 5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 223.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103744418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).