3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine

C17H21F3N6O — CID 139028930

IUPAC3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine
SMILESCOc1nccnc1N(C)CC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H21F3N6O/c1-25(14-15(27-2)22-8-7-21-14)11-12-4-9-26(10-5-12)16-23-6-3-13(24-16)17(18,19)20/h3,6-8,12H,4-5,9-11H2,1-2H3
InChIKeySLKMKLYHZKVYAX-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.65
Rot. Bonds5

About 3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine

3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine (PubChem CID 139028930) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine
PubChem CID139028930
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC Name3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine
SMILESCOc1nccnc1N(C)CC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H21F3N6O/c1-25(14-15(27-2)22-8-7-21-14)11-12-4-9-26(10-5-12)16-23-6-3-13(24-16)17(18,19)20/h3,6-8,12H,4-5,9-11H2,1-2H3
InChIKeySLKMKLYHZKVYAX-UHFFFAOYSA-N
XLogP2.65
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 70762639
CID 70762639
CID 75420699
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CID 75470617
CID 75470617
CID 97141882
CID 97141882
CID 97141883
CID 97141883
CID 126891026
CID 126891026
CID 132477402
CID 132477402
CID 132477404
CID 132477404
CID 133338625
CID 133338625
CID 145869000
CID 145869000
CID 145869111
CID 145869111
CID 145869115
CID 145869115

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine (CID 139028930) is 3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine is COc1nccnc1N(C)CC1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine?
The InChIKey is SLKMKLYHZKVYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O/c1-25(14-15(27-2)22-8-7-21-14)11-12-4-9-26(10-5-12)16-23-6-3-13(24-16)17(18,19)20/h3,6-8,12H,4-5,9-11H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine?
3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine has a molecular weight of 382.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 139028930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).