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

C11H15FN6 — CID 103879880

IUPAC6-ethyl-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2nncn2C)c1F
InChIInChI=1S/C11H15FN6/c1-4-8-9(12)10(14-5-13-8)16-7(2)11-17-15-6-18(11)3/h5-7H,4H2,1-3H3,(H,13,14,16)
InChIKeyVCZUIFWYYGBSPF-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.48
Rot. Bonds4

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

6-ethyl-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 103879880) has the molecular formula C11H15FN6 and a molecular weight of 250.28 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID103879880
Molecular FormulaC11H15FN6
Molecular Weight250.28 g/mol
Exact Mass250.13
IUPAC Name6-ethyl-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2nncn2C)c1F
InChIInChI=1S/C11H15FN6/c1-4-8-9(12)10(14-5-13-8)16-7(2)11-17-15-6-18(11)3/h5-7H,4H2,1-3H3,(H,13,14,16)
InChIKeyVCZUIFWYYGBSPF-UHFFFAOYSA-N
XLogP1.48
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (CID 103879880) is 6-ethyl-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is CCc1ncnc(NC(C)c2nncn2C)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is VCZUIFWYYGBSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6/c1-4-8-9(12)10(14-5-13-8)16-7(2)11-17-15-6-18(11)3/h5-7H,4H2,1-3H3,(H,13,14,16).
What are the key properties of 6-ethyl-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 250.28 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-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103879880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).