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

C13H19FN6O — CID 131939242

IUPAC6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2nncn2CCOC)c1F
InChIInChI=1S/C13H19FN6O/c1-4-10-11(14)12(16-7-15-10)18-9(2)13-19-17-8-20(13)5-6-21-3/h7-9H,4-6H2,1-3H3,(H,15,16,18)
InChIKeyZKXMOGZKTNBRBD-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.59
Rot. Bonds7

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

6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine (PubChem CID 131939242) has the molecular formula C13H19FN6O and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
PubChem CID131939242
Molecular FormulaC13H19FN6O
Molecular Weight294.33 g/mol
Exact Mass294.16
IUPAC Name6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2nncn2CCOC)c1F
InChIInChI=1S/C13H19FN6O/c1-4-10-11(14)12(16-7-15-10)18-9(2)13-19-17-8-20(13)5-6-21-3/h7-9H,4-6H2,1-3H3,(H,15,16,18)
InChIKeyZKXMOGZKTNBRBD-UHFFFAOYSA-N
XLogP1.59
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine (CID 131939242) is 6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine is CCc1ncnc(NC(C)c2nncn2CCOC)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine?
The InChIKey is ZKXMOGZKTNBRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN6O/c1-4-10-11(14)12(16-7-15-10)18-9(2)13-19-17-8-20(13)5-6-21-3/h7-9H,4-6H2,1-3H3,(H,15,16,18).
What are the key properties of 6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine has a molecular weight of 294.33 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 131939242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).