6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine

C10H12FN5O — CID 103880160

IUPAC6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2noc(C)n2)c1F
InChIInChI=1S/C10H12FN5O/c1-3-7-9(11)10(14-5-13-7)12-4-8-15-6(2)17-16-8/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyJUFHXYLRULRXMT-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.48
Rot. Bonds4

About 6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 103880160) has the molecular formula C10H12FN5O and a molecular weight of 237.24 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID103880160
Molecular FormulaC10H12FN5O
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC Name6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2noc(C)n2)c1F
InChIInChI=1S/C10H12FN5O/c1-3-7-9(11)10(14-5-13-7)12-4-8-15-6(2)17-16-8/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyJUFHXYLRULRXMT-UHFFFAOYSA-N
XLogP1.48
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-(cis-3-aminocyclobutyl)-N-{[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl}-4-pyrimidinamine dihydrochloride
CID 91788150
3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 95767777
2-[Ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
CID 100690449
4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
CID 121020662
6-ethyl-N,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 132378327
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
CID 84597127
5-[1-(6-Ethyl-5-fluoropyrimidin-4-YL)pyrrolidin-2-YL]-1,2,4-oxadiazole-3-carboxamide
CID 86817442
5-[[4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 86817561
6-ethyl-5-fluoro-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 92131015
5-[(2R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 99856717
5-[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 99856718
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide
CID 103270043

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (CID 103880160) is 6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is CCc1ncnc(NCc2noc(C)n2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is JUFHXYLRULRXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O/c1-3-7-9(11)10(14-5-13-7)12-4-8-15-6(2)17-16-8/h5H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 237.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103880160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).