[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C17H18F3N5O2 — CID 122332338

IUPAC[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)nc(C)n1
InChIInChI=1S/C17H18F3N5O2/c1-11-22-14(9-15(23-11)27-2)24-5-7-25(8-6-24)16(26)12-3-4-13(21-10-12)17(18,19)20/h3-4,9-10H,5-8H2,1-2H3
InChIKeyXPAIIXMQMMXLDP-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.17
Rot. Bonds3

About [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 122332338) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID122332338
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC Name[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)nc(C)n1
InChIInChI=1S/C17H18F3N5O2/c1-11-22-14(9-15(23-11)27-2)24-5-7-25(8-6-24)16(26)12-3-4-13(21-10-12)17(18,19)20/h3-4,9-10H,5-8H2,1-2H3
InChIKeyXPAIIXMQMMXLDP-UHFFFAOYSA-N
XLogP2.17
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122333070
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122332363
(6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337826
[4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 35875973
(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473262
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134410676
3-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
CID 122332318
phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 33497333
furan-3-yl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91631637
(3,4-dimethoxyphenyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748559
(4-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473413
(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 24688123

Frequently Asked Questions

What is the IUPAC name of [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 122332338) is [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is COc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)nc(C)n1.
What is the InChIKey of [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is XPAIIXMQMMXLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c1-11-22-14(9-15(23-11)27-2)24-5-7-25(8-6-24)16(26)12-3-4-13(21-10-12)17(18,19)20/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 381.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 122332338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).