5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine

C19H26F3N5O — CID 58804384

IUPAC5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2cnc(N(C)C)cc2C(F)(F)F)nc1OC
InChIInChI=1S/C19H26F3N5O/c1-7-12(8-2)25-17-18(28-6)26-16(11(3)24-17)13-10-23-15(27(4)5)9-14(13)19(20,21)22/h9-10,12H,7-8H2,1-6H3,(H,24,25)
InChIKeyJXYDNSSRVISZHN-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.54
Rot. Bonds7

About 5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine

5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 58804384) has the molecular formula C19H26F3N5O and a molecular weight of 397.45 g/mol. Its IUPAC name is 5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID58804384
Molecular FormulaC19H26F3N5O
Molecular Weight397.45 g/mol
Exact Mass397.21
IUPAC Name5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2cnc(N(C)C)cc2C(F)(F)F)nc1OC
InChIInChI=1S/C19H26F3N5O/c1-7-12(8-2)25-17-18(28-6)26-16(11(3)24-17)13-10-23-15(27(4)5)9-14(13)19(20,21)22/h9-10,12H,7-8H2,1-6H3,(H,24,25)
InChIKeyJXYDNSSRVISZHN-UHFFFAOYSA-N
XLogP4.54
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 58804384) is 5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(C)c(-c2cnc(N(C)C)cc2C(F)(F)F)nc1OC.
What is the InChIKey of 5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is JXYDNSSRVISZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N5O/c1-7-12(8-2)25-17-18(28-6)26-16(11(3)24-17)13-10-23-15(27(4)5)9-14(13)19(20,21)22/h9-10,12H,7-8H2,1-6H3,(H,24,25).
What are the key properties of 5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 397.45 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(dimethylamino)-4-(trifluoromethyl)-3-pyridinyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 58804384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).