6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine

C10H12FN5 — CID 103879851

IUPAC6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccn[nH]2)c1F
InChIInChI=1S/C10H12FN5/c1-2-8-9(11)10(14-6-13-8)12-5-7-3-4-15-16-7/h3-4,6H,2,5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyXDBZIYUXMQJHLC-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.51
Rot. Bonds4

About 6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 103879851) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID103879851
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccn[nH]2)c1F
InChIInChI=1S/C10H12FN5/c1-2-8-9(11)10(14-6-13-8)12-5-7-3-4-15-16-7/h3-4,6H,2,5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyXDBZIYUXMQJHLC-UHFFFAOYSA-N
XLogP1.51
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine (CID 103879851) is 6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine is CCc1ncnc(NCc2ccn[nH]2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is XDBZIYUXMQJHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-2-8-9(11)10(14-6-13-8)12-5-7-3-4-15-16-7/h3-4,6H,2,5H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 221.24 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 103879851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).