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

C9H10FN5O — CID 103703209

IUPAC5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(CNc2ncnc(C)c2F)no1
InChIInChI=1S/C9H10FN5O/c1-5-8(10)9(13-4-12-5)11-3-7-14-6(2)16-15-7/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyACKVSBQEBBLWGC-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.23
Rot. Bonds3

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

5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 103703209) has the molecular formula C9H10FN5O and a molecular weight of 223.21 g/mol. Its IUPAC name is 5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID103703209
Molecular FormulaC9H10FN5O
Molecular Weight223.21 g/mol
Exact Mass223.09
IUPAC Name5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(CNc2ncnc(C)c2F)no1
InChIInChI=1S/C9H10FN5O/c1-5-8(10)9(13-4-12-5)11-3-7-14-6(2)16-15-7/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyACKVSBQEBBLWGC-UHFFFAOYSA-N
XLogP1.23
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-Methyl-5-{[(2,5,6-trimethylpyrimidin-4-YL)amino]methyl}-1,2,4-oxadiazole-3-carboxamide
CID 72881712
4-(5,6-Dimethylpyrimidin-4-YL)-N-[(5-isopropyl-1,2,4-oxadiazol-3-YL)methyl]piperazine-1-carboxamide
CID 121495368
3-(5-Fluoro-2-methoxypyrimidin-4-yl)-5-methyl-1,2,4-oxadiazole
CID 169574313
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 64584882
2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-N-methylacetamide
CID 103634769
2-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]propanamide
CID 103634997
2-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]ethylurea
CID 103703254
5-fluoro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103744418
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (CID 103703209) is 5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is Cc1nc(CNc2ncnc(C)c2F)no1.
What is the InChIKey of 5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is ACKVSBQEBBLWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O/c1-5-8(10)9(13-4-12-5)11-3-7-14-6(2)16-15-7/h4H,3H2,1-2H3,(H,11,12,13).
What are the key properties of 5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 223.21 g/mol, XLogP of 1.23, 3 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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103703209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).