5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine

C9H13FN4 — CID 21363886

IUPAC5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C9H13FN4/c1-13-2-4-14(5-3-13)9-11-6-8(10)7-12-9/h6-7H,2-5H2,1H3
InChIKeyYODLIZLCKLQILI-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.37
Rot. Bonds1

About 5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine

5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 21363886) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID21363886
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C9H13FN4/c1-13-2-4-14(5-3-13)9-11-6-8(10)7-12-9/h6-7H,2-5H2,1H3
InChIKeyYODLIZLCKLQILI-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine (CID 21363886) is 5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is YODLIZLCKLQILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c1-13-2-4-14(5-3-13)9-11-6-8(10)7-12-9/h6-7H,2-5H2,1H3.
What are the key properties of 5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine?
5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 196.23 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 21363886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).