[4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C23H21F3N4O3S — CID 55589691

IUPAC[4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H21F3N4O3S/c1-14-18(20(34-2)28-19(27-14)17-4-3-13-33-17)22(32)30-11-9-29(10-12-30)21(31)15-5-7-16(8-6-15)23(24,25)26/h3-8,13H,9-12H2,1-2H3
InChIKeyXMJVOQPOQKRAAD-UHFFFAOYSA-N
MW490.51 g/mol
LogP4.38
Rot. Bonds4

About [4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 55589691) has the molecular formula C23H21F3N4O3S and a molecular weight of 490.51 g/mol. Its IUPAC name is [4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID55589691
Molecular FormulaC23H21F3N4O3S
Molecular Weight490.51 g/mol
Exact Mass490.13
IUPAC Name[4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H21F3N4O3S/c1-14-18(20(34-2)28-19(27-14)17-4-3-13-33-17)22(32)30-11-9-29(10-12-30)21(31)15-5-7-16(8-6-15)23(24,25)26/h3-8,13H,9-12H2,1-2H3
InChIKeyXMJVOQPOQKRAAD-UHFFFAOYSA-N
XLogP4.38
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-chlorophenyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone
CID 78844700
3,4-dihydro-1H-isoquinolin-2-yl-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone
CID 78844850
[(3S)-3-anilinopyrrolidin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone
CID 99813417
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone
CID 55549936
[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 47024563
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide
CID 52658925
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
2-(furan-2-yl)-4-methyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-6-methylsulfanylpyrimidine-5-carboxamide
CID 78844948
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320
N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 55530701
N-[1-(2-bromophenyl)ethyl]-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 55550704
2-(furan-2-yl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 55550240

Frequently Asked Questions

What is the IUPAC name of [4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 55589691) is [4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is CSc1nc(-c2ccco2)nc(C)c1C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is XMJVOQPOQKRAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3S/c1-14-18(20(34-2)28-19(27-14)17-4-3-13-33-17)22(32)30-11-9-29(10-12-30)21(31)15-5-7-16(8-6-15)23(24,25)26/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 490.51 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 55589691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).