6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine

C11H18FN5O — CID 118936836

IUPAC6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine
SMILESCN1CCN(CCOc2nc(N)cc(F)n2)CC1
InChIInChI=1S/C11H18FN5O/c1-16-2-4-17(5-3-16)6-7-18-11-14-9(12)8-10(13)15-11/h8H,2-7H2,1H3,(H2,13,14,15)
InChIKeyZZGDBINXVJXNRE-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.18
Rot. Bonds4

About 6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine

6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine (PubChem CID 118936836) has the molecular formula C11H18FN5O and a molecular weight of 255.30 g/mol. Its IUPAC name is 6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine
PubChem CID118936836
Molecular FormulaC11H18FN5O
Molecular Weight255.30 g/mol
Exact Mass255.15
IUPAC Name6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine
SMILESCN1CCN(CCOc2nc(N)cc(F)n2)CC1
InChIInChI=1S/C11H18FN5O/c1-16-2-4-17(5-3-16)6-7-18-11-14-9(12)8-10(13)15-11/h8H,2-7H2,1H3,(H2,13,14,15)
InChIKeyZZGDBINXVJXNRE-UHFFFAOYSA-N
XLogP-0.18
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine (CID 118936836) is 6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine is CN1CCN(CCOc2nc(N)cc(F)n2)CC1.
What is the InChIKey of 6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine?
The InChIKey is ZZGDBINXVJXNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5O/c1-16-2-4-17(5-3-16)6-7-18-11-14-9(12)8-10(13)15-11/h8H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine?
6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine has a molecular weight of 255.30 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine is sourced from PubChem (CID 118936836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).