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

C10H13FN6 — CID 103880374

IUPAC6-ethyl-5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCc2ncn[nH]2)c1F
InChIInChI=1S/C10H13FN6/c1-2-7-9(11)10(15-5-13-7)12-4-3-8-14-6-16-17-8/h5-6H,2-4H2,1H3,(H,12,13,15)(H,14,16,17)
InChIKeyMBSZBZXNZVYFEQ-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.95
Rot. Bonds5

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

6-ethyl-5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 103880374) has the molecular formula C10H13FN6 and a molecular weight of 236.25 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID103880374
Molecular FormulaC10H13FN6
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name6-ethyl-5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCc2ncn[nH]2)c1F
InChIInChI=1S/C10H13FN6/c1-2-7-9(11)10(15-5-13-7)12-4-3-8-14-6-16-17-8/h5-6H,2-4H2,1H3,(H,12,13,15)(H,14,16,17)
InChIKeyMBSZBZXNZVYFEQ-UHFFFAOYSA-N
XLogP0.95
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.95
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-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (CID 103880374) is 6-ethyl-5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is CCc1ncnc(NCCc2ncn[nH]2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is MBSZBZXNZVYFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6/c1-2-7-9(11)10(15-5-13-7)12-4-3-8-14-6-16-17-8/h5-6H,2-4H2,1H3,(H,12,13,15)(H,14,16,17).
What are the key properties of 6-ethyl-5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 236.25 g/mol, XLogP of 0.95, 5 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-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103880374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).