2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol

C12H20FN5O — CID 72867759

IUPAC2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol
SMILESCN(C)c1nc(N2CCN(CCO)CC2)ncc1F
InChIInChI=1S/C12H20FN5O/c1-16(2)11-10(13)9-14-12(15-11)18-5-3-17(4-6-18)7-8-19/h9,19H,3-8H2,1-2H3
InChIKeyMIMDSYFROGALGT-UHFFFAOYSA-N
MW269.32 g/mol
LogP-0.20
Rot. Bonds4

About 2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol (PubChem CID 72867759) has the molecular formula C12H20FN5O and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol
PubChem CID72867759
Molecular FormulaC12H20FN5O
Molecular Weight269.32 g/mol
Exact Mass269.17
IUPAC Name2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol
SMILESCN(C)c1nc(N2CCN(CCO)CC2)ncc1F
InChIInChI=1S/C12H20FN5O/c1-16(2)11-10(13)9-14-12(15-11)18-5-3-17(4-6-18)7-8-19/h9,19H,3-8H2,1-2H3
InChIKeyMIMDSYFROGALGT-UHFFFAOYSA-N
XLogP-0.20
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol (CID 72867759) is 2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol is CN(C)c1nc(N2CCN(CCO)CC2)ncc1F.
What is the InChIKey of 2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is MIMDSYFROGALGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5O/c1-16(2)11-10(13)9-14-12(15-11)18-5-3-17(4-6-18)7-8-19/h9,19H,3-8H2,1-2H3.
What are the key properties of 2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 269.32 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 72867759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).