2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine

C17H20F3N5O — CID 165435044

IUPAC2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(N2CCC(COc3nccnc3C)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H20F3N5O/c1-11-16(22-6-5-21-11)26-10-13-3-7-25(8-4-13)15-9-14(17(18,19)20)23-12(2)24-15/h5-6,9,13H,3-4,7-8,10H2,1-2H3
InChIKeyYSAVLYZJSZANFY-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.20
Rot. Bonds4

About 2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine

2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 165435044) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID165435044
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(N2CCC(COc3nccnc3C)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H20F3N5O/c1-11-16(22-6-5-21-11)26-10-13-3-7-25(8-4-13)15-9-14(17(18,19)20)23-12(2)24-15/h5-6,9,13H,3-4,7-8,10H2,1-2H3
InChIKeyYSAVLYZJSZANFY-UHFFFAOYSA-N
XLogP3.20
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine
CID 75420699
3-[4-[1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxycyclohexyl]oxypyrazine-2-carbonitrile
CID 76071523
2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 132477402
2-Methoxy-6-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine
CID 132477404
3-methoxy-N-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}methyl)pyrazin-2-amine
CID 139028930
N-{[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-3-methoxy-N-methylpyrazin-2-amine
CID 145869189
3-methoxy-N-methyl-N-({1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}methyl)pyrazin-2-amine
CID 145869215
2-{4-[(Pyrazin-2-yloxy)methyl]piperidin-1-yl}-4-(trifluoromethyl)pyrimidine
CID 154583110
4-{4-[(Pyrazin-2-yloxy)methyl]piperidin-1-yl}-6-(trifluoromethyl)pyrimidine
CID 154583111
2-Methyl-4-{4-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}-6-(trifluoromethyl)pyrimidine
CID 154583162
4-Ethyl-5-fluoro-6-{4-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}pyrimidine
CID 154583171
4-Methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 154844967

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine (CID 165435044) is 2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine is Cc1nc(N2CCC(COc3nccnc3C)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is YSAVLYZJSZANFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-11-16(22-6-5-21-11)26-10-13-3-7-25(8-4-13)15-9-14(17(18,19)20)23-12(2)24-15/h5-6,9,13H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 367.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 165435044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).