[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone

C19H17F3N6O — CID 91631599

IUPAC[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1nc(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H17F3N6O/c1-12-24-16(19(20,21)22)10-17(25-12)27-6-8-28(9-7-27)18(29)15-11-23-13-4-2-3-5-14(13)26-15/h2-5,10-11H,6-9H2,1H3
InChIKeyXWKCQENIUJFCEC-UHFFFAOYSA-N
MW402.38 g/mol
LogP2.71
Rot. Bonds2

About [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone

[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 91631599) has the molecular formula C19H17F3N6O and a molecular weight of 402.38 g/mol. Its IUPAC name is [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID91631599
Molecular FormulaC19H17F3N6O
Molecular Weight402.38 g/mol
Exact Mass402.14
IUPAC Name[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1nc(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H17F3N6O/c1-12-24-16(19(20,21)22)10-17(25-12)27-6-8-28(9-7-27)18(29)15-11-23-13-4-2-3-5-14(13)26-15/h2-5,10-11H,6-9H2,1H3
InChIKeyXWKCQENIUJFCEC-UHFFFAOYSA-N
XLogP2.71
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122341062
[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 146078192
(2-bromophenyl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91631610
[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122341994
furan-3-yl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91631637
1-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 91631639
2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one
CID 91817838
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122348391
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122332338
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 91631597
1-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 91892385

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone (CID 91631599) is [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone is Cc1nc(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is XWKCQENIUJFCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O/c1-12-24-16(19(20,21)22)10-17(25-12)27-6-8-28(9-7-27)18(29)15-11-23-13-4-2-3-5-14(13)26-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 402.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 91631599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).