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

C10H13FN6 — CID 103886351

IUPAC6-ethyl-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2ncn[nH]2)c1F
InChIInChI=1S/C10H13FN6/c1-3-7-8(11)10(13-4-12-7)16-6(2)9-14-5-15-17-9/h4-6H,3H2,1-2H3,(H,12,13,16)(H,14,15,17)
InChIKeyNFBCWDYQWCNJRA-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.47
Rot. Bonds4

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

6-ethyl-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 103886351) has the molecular formula C10H13FN6 and a molecular weight of 236.25 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID103886351
Molecular FormulaC10H13FN6
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name6-ethyl-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2ncn[nH]2)c1F
InChIInChI=1S/C10H13FN6/c1-3-7-8(11)10(13-4-12-7)16-6(2)9-14-5-15-17-9/h4-6H,3H2,1-2H3,(H,12,13,16)(H,14,15,17)
InChIKeyNFBCWDYQWCNJRA-UHFFFAOYSA-N
XLogP1.47
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (CID 103886351) is 6-ethyl-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is CCc1ncnc(NC(C)c2ncn[nH]2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is NFBCWDYQWCNJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6/c1-3-7-8(11)10(13-4-12-7)16-6(2)9-14-5-15-17-9/h4-6H,3H2,1-2H3,(H,12,13,16)(H,14,15,17).
What are the key properties of 6-ethyl-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 236.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103886351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).