6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine

C10H12FN5 — CID 103009994

IUPAC6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCn1nccc1CCNc1cc(F)ncn1
InChIInChI=1S/C10H12FN5/c1-16-8(3-5-15-16)2-4-12-10-6-9(11)13-7-14-10/h3,5-7H,2,4H2,1H3,(H,12,13,14)
InChIKeyXHBWZHAVNYEUDU-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.00
Rot. Bonds4

About 6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine

6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 103009994) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID103009994
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCn1nccc1CCNc1cc(F)ncn1
InChIInChI=1S/C10H12FN5/c1-16-8(3-5-15-16)2-4-12-10-6-9(11)13-7-14-10/h3,5-7H,2,4H2,1H3,(H,12,13,14)
InChIKeyXHBWZHAVNYEUDU-UHFFFAOYSA-N
XLogP1.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine (CID 103009994) is 6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine is Cn1nccc1CCNc1cc(F)ncn1.
What is the InChIKey of 6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is XHBWZHAVNYEUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-16-8(3-5-15-16)2-4-12-10-6-9(11)13-7-14-10/h3,5-7H,2,4H2,1H3,(H,12,13,14).
What are the key properties of 6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine?
6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 221.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103009994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).