3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one

C19H23F3N4O — CID 45484946

IUPAC3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one
SMILESC[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C19H23F3N4O/c1-13-12-23-9-10-26(13)17-11-18(27)25(2)16(24-17)8-7-14-5-3-4-6-15(14)19(20,21)22/h3-6,11,13,23H,7-10,12H2,1-2H3/t13-/m1/s1
InChIKeyOPHCHIXWIXYSNL-CYBMUJFWSA-N
MW380.41 g/mol
LogP2.38
Rot. Bonds4

About 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one

3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one (PubChem CID 45484946) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one
PubChem CID45484946
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one
SMILESC[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C19H23F3N4O/c1-13-12-23-9-10-26(13)17-11-18(27)25(2)16(24-17)8-7-14-5-3-4-6-15(14)19(20,21)22/h3-6,11,13,23H,7-10,12H2,1-2H3/t13-/m1/s1
InChIKeyOPHCHIXWIXYSNL-CYBMUJFWSA-N
XLogP2.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one (CID 45484946) is 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one is C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one?
The InChIKey is OPHCHIXWIXYSNL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-13-12-23-9-10-26(13)17-11-18(27)25(2)16(24-17)8-7-14-5-3-4-6-15(14)19(20,21)22/h3-6,11,13,23H,7-10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one?
3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one has a molecular weight of 380.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-one is sourced from PubChem (CID 45484946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).