6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine

C9H11FN6 — CID 167921753

IUPAC6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCCn1ncc(-c2cc(N)nc(N)n2)c1F
InChIInChI=1S/C9H11FN6/c1-2-16-8(10)5(4-13-16)6-3-7(11)15-9(12)14-6/h3-4H,2H2,1H3,(H4,11,12,14,15)
InChIKeyNQAJNPWAGQGRLM-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.66
Rot. Bonds2

About 6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine

6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 167921753) has the molecular formula C9H11FN6 and a molecular weight of 222.23 g/mol. Its IUPAC name is 6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID167921753
Molecular FormulaC9H11FN6
Molecular Weight222.23 g/mol
Exact Mass222.10
IUPAC Name6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCCn1ncc(-c2cc(N)nc(N)n2)c1F
InChIInChI=1S/C9H11FN6/c1-2-16-8(10)5(4-13-16)6-3-7(11)15-9(12)14-6/h3-4H,2H2,1H3,(H4,11,12,14,15)
InChIKeyNQAJNPWAGQGRLM-UHFFFAOYSA-N
XLogP0.66
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine (CID 167921753) is 6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine is CCn1ncc(-c2cc(N)nc(N)n2)c1F.
What is the InChIKey of 6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is NQAJNPWAGQGRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6/c1-2-16-8(10)5(4-13-16)6-3-7(11)15-9(12)14-6/h3-4H,2H2,1H3,(H4,11,12,14,15).
What are the key properties of 6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine?
6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 222.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 167921753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).