5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine

C11H16F2N4O — CID 166704946

IUPAC5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine
SMILESC[C@@H]1CN(c2ncc(OC(F)F)cn2)C[C@H](C)N1
InChIInChI=1S/C11H16F2N4O/c1-7-5-17(6-8(2)16-7)11-14-3-9(4-15-11)18-10(12)13/h3-4,7-8,10,16H,5-6H2,1-2H3/t7-,8+
InChIKeyUFKRVBUFNXNGCK-OCAPTIKFSA-N
MW258.27 g/mol
LogP1.26
Rot. Bonds3

About 5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine

5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine (PubChem CID 166704946) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine
PubChem CID166704946
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC Name5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine
SMILESC[C@@H]1CN(c2ncc(OC(F)F)cn2)C[C@H](C)N1
InChIInChI=1S/C11H16F2N4O/c1-7-5-17(6-8(2)16-7)11-14-3-9(4-15-11)18-10(12)13/h3-4,7-8,10,16H,5-6H2,1-2H3/t7-,8+
InChIKeyUFKRVBUFNXNGCK-OCAPTIKFSA-N
XLogP1.26
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine?
The IUPAC name of 5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine (CID 166704946) is 5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine is C[C@@H]1CN(c2ncc(OC(F)F)cn2)C[C@H](C)N1.
What is the InChIKey of 5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine?
The InChIKey is UFKRVBUFNXNGCK-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H16F2N4O/c1-7-5-17(6-8(2)16-7)11-14-3-9(4-15-11)18-10(12)13/h3-4,7-8,10,16H,5-6H2,1-2H3/t7-,8+.
What are the key properties of 5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine?
5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine has a molecular weight of 258.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 166704946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).