2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine

C14H15F3N6O — CID 75420699

IUPAC2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine
SMILESCOc1nccnc1N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H15F3N6O/c1-24-12-11(18-4-5-19-12)22-6-8-23(9-7-22)13-20-3-2-10(21-13)14(15,16)17/h2-5H,6-9H2,1H3
InChIKeyNFMUUBSDGUVIEB-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.62
Rot. Bonds3

About 2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine

2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine (PubChem CID 75420699) has the molecular formula C14H15F3N6O and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine
PubChem CID75420699
Molecular FormulaC14H15F3N6O
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC Name2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine
SMILESCOc1nccnc1N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H15F3N6O/c1-24-12-11(18-4-5-19-12)22-6-8-23(9-7-22)13-20-3-2-10(21-13)14(15,16)17/h2-5H,6-9H2,1H3
InChIKeyNFMUUBSDGUVIEB-UHFFFAOYSA-N
XLogP1.62
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine (CID 75420699) is 2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine is COc1nccnc1N1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine?
The InChIKey is NFMUUBSDGUVIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O/c1-24-12-11(18-4-5-19-12)22-6-8-23(9-7-22)13-20-3-2-10(21-13)14(15,16)17/h2-5H,6-9H2,1H3.
What are the key properties of 2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine?
2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine has a molecular weight of 340.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 75420699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).