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

C9H10FN5O — CID 106421574

IUPAC6-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1noc(CCNc2cc(F)ncn2)n1
InChIInChI=1S/C9H10FN5O/c1-6-14-9(16-15-6)2-3-11-8-4-7(10)12-5-13-8/h4-5H,2-3H2,1H3,(H,11,12,13)
InChIKeyRJGAHMIAZACLKM-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.96
Rot. Bonds4

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

6-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 106421574) has the molecular formula C9H10FN5O and a molecular weight of 223.21 g/mol. Its IUPAC name is 6-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID106421574
Molecular FormulaC9H10FN5O
Molecular Weight223.21 g/mol
Exact Mass223.09
IUPAC Name6-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1noc(CCNc2cc(F)ncn2)n1
InChIInChI=1S/C9H10FN5O/c1-6-14-9(16-15-6)2-3-11-8-4-7(10)12-5-13-8/h4-5H,2-3H2,1H3,(H,11,12,13)
InChIKeyRJGAHMIAZACLKM-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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (CID 106421574) is 6-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is Cc1noc(CCNc2cc(F)ncn2)n1.
What is the InChIKey of 6-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is RJGAHMIAZACLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O/c1-6-14-9(16-15-6)2-3-11-8-4-7(10)12-5-13-8/h4-5H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 6-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
6-fluoro-N-[2-(3-methyl-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 6-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106421574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).